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

C92H109BrN10O4 — CID 165094401

IUPAC1-(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
SMILESCCCCC(=O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)N(Cc1ccccc1)CCC2.CCCCC(O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.Nc1ccccn1
InChIInChI=1S/C26H29N3O.C21H24BrNO.C20H26N2O.C20H24N2O.C5H6N2/c1-2-3-13-24(30)22-17-21-12-9-16-29(19-20-10-5-4-6-11-20)26(21)23(18-22)28-25-14-7-8-15-27-25;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;2*1-2-3-10-19(23)16-13-15-8-4-5-9-17(15)18(14-16)22-20-11-6-7-12-21-20;6-5-3-1-2-4-7-5/h4-8,10-11,14-15,17-18H,2-3,9,12-13,16,19H2,1H3,(H,27,28);4-6,8-9,13-14H,2-3,7,10-12,15H2,1H3;6-7,11-14,19,23H,2-5,8-10H2,1H3,(H,21,22);6-7,11-14H,2-5,8-10H2,1H3,(H,21,22);1-4H,(H2,6,7)
InChIKeyXGFHEOWRPXCQMS-UHFFFAOYSA-N
MW1498.85 g/mol
LogP22.59
Rot. Bonds26

About 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

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 (PubChem CID 165094401) has the molecular formula C92H109BrN10O4 and a molecular weight of 1498.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID165094401
Molecular FormulaC92H109BrN10O4
Molecular Weight1498.85 g/mol
Exact Mass1496.78
IUPAC Name1-(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
SMILESCCCCC(=O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)N(Cc1ccccc1)CCC2.CCCCC(O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.Nc1ccccn1
InChIInChI=1S/C26H29N3O.C21H24BrNO.C20H26N2O.C20H24N2O.C5H6N2/c1-2-3-13-24(30)22-17-21-12-9-16-29(19-20-10-5-4-6-11-20)26(21)23(18-22)28-25-14-7-8-15-27-25;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;2*1-2-3-10-19(23)16-13-15-8-4-5-9-17(15)18(14-16)22-20-11-6-7-12-21-20;6-5-3-1-2-4-7-5/h4-8,10-11,14-15,17-18H,2-3,9,12-13,16,19H2,1H3,(H,27,28);4-6,8-9,13-14H,2-3,7,10-12,15H2,1H3;6-7,11-14,19,23H,2-5,8-10H2,1H3,(H,21,22);6-7,11-14H,2-5,8-10H2,1H3,(H,21,22);1-4H,(H2,6,7)
InChIKeyXGFHEOWRPXCQMS-UHFFFAOYSA-N
XLogP22.59
TPSA191.59 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.85
LogP ≤ 522.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
CID 161013726
CID 161013726
1-Azabicyclo[2.2.2]octan-3-yl-[3-bromo-4-(dimethylamino)phenyl]methanone;1-azabicyclo[2.2.2]octan-3-yl-[3,5-dibromo-4-(dimethylamino)phenyl]methanone;1-azabicyclo[2.2.2]octan-3-yl-[4-(dimethylamino)-3-methylphenyl]methanone;1-azabicyclo[2.2.2]octan-3-yl-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)methanone;1-azabicyclo[2.2.2]octan-3-yl-[4-(1-hydroxyethyl)phenyl]methanone;1-azabicyclo[2.2.2]octan-3-yl-(2-methyl-3-pyridinyl)methanone
CID 161299665
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(=O)c1cc(Br)c2c(c1)CCCN2Cc1ccccc1.CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)N(Cc1ccccc1)CCC2.CCCCC(O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.Nc1ccccn1.
What is the InChIKey of 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?
The InChIKey is XGFHEOWRPXCQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O.C21H24BrNO.C20H26N2O.C20H24N2O.C5H6N2/c1-2-3-13-24(30)22-17-21-12-9-16-29(19-20-10-5-4-6-11-20)26(21)23(18-22)28-25-14-7-8-15-27-25;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;2*1-2-3-10-19(23)16-13-15-8-4-5-9-17(15)18(14-16)22-20-11-6-7-12-21-20;6-5-3-1-2-4-7-5/h4-8,10-11,14-15,17-18H,2-3,9,12-13,16,19H2,1H3,(H,27,28);4-6,8-9,13-14H,2-3,7,10-12,15H2,1H3;6-7,11-14,19,23H,2-5,8-10H2,1H3,(H,21,22);6-7,11-14H,2-5,8-10H2,1H3,(H,21,22);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-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?
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 has a molecular weight of 1498.85 g/mol, XLogP of 22.59, 26 rotatable bonds, 5 hydrogen bond donors, and 14 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-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 is sourced from PubChem (CID 165094401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).