1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine

C117H145Br3N10O5 — CID 165039322

IUPAC1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine
SMILESCCCCC(=O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(OC)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(OC)c1cc2c(c(Nc3ccccn3)c1)CCCC2.CCCCC(OC)c1cc2c(c(Nc3ccccn3)c1)N(Cc1ccccc1)CCC2.Nc1ccccn1
InChIInChI=1S/C27H33N3O.C22H28BrNO.C21H26BrNO.C21H24BrNO.C21H28N2O.C5H6N2/c1-3-4-14-25(31-2)23-18-22-13-10-17-30(20-21-11-6-5-7-12-21)27(22)24(19-23)29-26-15-8-9-16-28-26;1-3-4-12-21(25-2)19-14-18-11-8-13-24(22(18)20(23)15-19)16-17-9-6-5-7-10-17;2*1-2-3-11-20(24)18-13-17-10-7-12-23(21(17)19(22)14-18)15-16-8-5-4-6-9-16;1-3-4-11-20(24-2)17-14-16-9-5-6-10-18(16)19(15-17)23-21-12-7-8-13-22-21;6-5-3-1-2-4-7-5/h5-9,11-12,15-16,18-19,25H,3-4,10,13-14,17,20H2,1-2H3,(H,28,29);5-7,9-10,14-15,21H,3-4,8,11-13,16H2,1-2H3;4-6,8-9,13-14,20,24H,2-3,7,10-12,15H2,1H3;4-6,8-9,13-14H,2-3,7,10-12,15H2,1H3;7-8,12-15,20H,3-6,9-11H2,1-2H3,(H,22,23);1-4H,(H2,6,7)
InChIKeyNWJLONWDJLYTIG-UHFFFAOYSA-N
MW2011.22 g/mol
LogP30.58
Rot. Bonds35

About 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine

1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine (PubChem CID 165039322) has the molecular formula C117H145Br3N10O5 and a molecular weight of 2011.22 g/mol. Its IUPAC name is 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine.

Molecular Properties

Compound Name1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine
PubChem CID165039322
Molecular FormulaC117H145Br3N10O5
Molecular Weight2011.22 g/mol
Exact Mass2006.89
IUPAC Name1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine
SMILESCCCCC(=O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(OC)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(OC)c1cc2c(c(Nc3ccccn3)c1)CCCC2.CCCCC(OC)c1cc2c(c(Nc3ccccn3)c1)N(Cc1ccccc1)CCC2.Nc1ccccn1
InChIInChI=1S/C27H33N3O.C22H28BrNO.C21H26BrNO.C21H24BrNO.C21H28N2O.C5H6N2/c1-3-4-14-25(31-2)23-18-22-13-10-17-30(20-21-11-6-5-7-12-21)27(22)24(19-23)29-26-15-8-9-16-28-26;1-3-4-12-21(25-2)19-14-18-11-8-13-24(22(18)20(23)15-19)16-17-9-6-5-7-10-17;2*1-2-3-11-20(24)18-13-17-10-7-12-23(21(17)19(22)14-18)15-16-8-5-4-6-9-16;1-3-4-11-20(24-2)17-14-16-9-5-6-10-18(16)19(15-17)23-21-12-7-8-13-22-21;6-5-3-1-2-4-7-5/h5-9,11-12,15-16,18-19,25H,3-4,10,13-14,17,20H2,1-2H3,(H,28,29);5-7,9-10,14-15,21H,3-4,8,11-13,16H2,1-2H3;4-6,8-9,13-14,20,24H,2-3,7,10-12,15H2,1H3;4-6,8-9,13-14H,2-3,7,10-12,15H2,1H3;7-8,12-15,20H,3-6,9-11H2,1-2H3,(H,22,23);1-4H,(H2,6,7)
InChIKeyNWJLONWDJLYTIG-UHFFFAOYSA-N
XLogP30.58
TPSA166.70 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.22
LogP ≤ 530.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine with MolForge

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Related Compounds

6-Bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 2,6-diaminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate
CID 157948717
dimethyl 6,7-bis(hydroxymethyl)-1-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalene-2,3-dicarboxylate;dimethyl 1-(2-bromo-4-pyridinyl)-6,7-bis(hydroxymethyl)naphthalene-2,3-dicarboxylate;(4R)-4-methyl-1,2,3,4-tetrahydroquinoline;(4S)-1-[4-[2,3,6,7-tetrakis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-3,4-dihydro-2H-quinolin-4-ol;[3,6,7-tris(hydroxymethyl)-4-[2-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]naphthalen-2-yl]methanol;hydroiodide
CID 160922323
6-Bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate
CID 161494760
1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-[1-benzyl-8-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pentan-1-one;pyridin-2-amine;1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol;1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one
CID 165094401

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine?
The IUPAC name of 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine (CID 165039322) is 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine.
What is the SMILES notation for 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine?
The canonical SMILES for 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine is CCCCC(=O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(OC)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(OC)c1cc2c(c(Nc3ccccn3)c1)CCCC2.CCCCC(OC)c1cc2c(c(Nc3ccccn3)c1)N(Cc1ccccc1)CCC2.Nc1ccccn1.
What is the InChIKey of 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine?
The InChIKey is NWJLONWDJLYTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O.C22H28BrNO.C21H26BrNO.C21H24BrNO.C21H28N2O.C5H6N2/c1-3-4-14-25(31-2)23-18-22-13-10-17-30(20-21-11-6-5-7-12-21)27(22)24(19-23)29-26-15-8-9-16-28-26;1-3-4-12-21(25-2)19-14-18-11-8-13-24(22(18)20(23)15-19)16-17-9-6-5-7-10-17;2*1-2-3-11-20(24)18-13-17-10-7-12-23(21(17)19(22)14-18)15-16-8-5-4-6-9-16;1-3-4-11-20(24-2)17-14-16-9-5-6-10-18(16)19(15-17)23-21-12-7-8-13-22-21;6-5-3-1-2-4-7-5/h5-9,11-12,15-16,18-19,25H,3-4,10,13-14,17,20H2,1-2H3,(H,28,29);5-7,9-10,14-15,21H,3-4,8,11-13,16H2,1-2H3;4-6,8-9,13-14,20,24H,2-3,7,10-12,15H2,1H3;4-6,8-9,13-14H,2-3,7,10-12,15H2,1H3;7-8,12-15,20H,3-6,9-11H2,1-2H3,(H,22,23);1-4H,(H2,6,7).
What are the key properties of 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine?
1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine has a molecular weight of 2011.22 g/mol, XLogP of 30.58, 35 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-ol;1-(1-benzyl-8-bromo-3,4-dihydro-2H-quinolin-6-yl)pentan-1-one;1-benzyl-8-bromo-6-(1-methoxypentyl)-3,4-dihydro-2H-quinoline;1-benzyl-6-(1-methoxypentyl)-N-pyridin-2-yl-3,4-dihydro-2H-quinolin-8-amine;N-[3-(1-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-1-yl]pyridin-2-amine;pyridin-2-amine is sourced from PubChem (CID 165039322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).