2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid

C19H25N3O3 — CID 146134509

IUPAC2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(NCC(O)CN2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-13-15-7-3-4-8-16(15)21-18(17(13)19(24)25)20-11-14(23)12-22-9-5-2-6-10-22/h3-4,7-8,14,23H,2,5-6,9-12H2,1H3,(H,20,21)(H,24,25)
InChIKeyMLDHDOAUDXPZEV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.50
Rot. Bonds6

About 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid

2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid (PubChem CID 146134509) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid
PubChem CID146134509
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(NCC(O)CN2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-13-15-7-3-4-8-16(15)21-18(17(13)19(24)25)20-11-14(23)12-22-9-5-2-6-10-22/h3-4,7-8,14,23H,2,5-6,9-12H2,1H3,(H,20,21)(H,24,25)
InChIKeyMLDHDOAUDXPZEV-UHFFFAOYSA-N
XLogP2.50
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid with MolForge

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Related Compounds

methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
2-[[4-(dimethylamino)oxan-4-yl]methylamino]-4-methylquinoline-3-carboxylic acid
CID 167769158
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 95124971
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 158430386
(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 97205363
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
CID 122047294
5-benzoyl-1,3-dibenzyl-6-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]pyrimidine-2,4-dione
CID 11577594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid (CID 146134509) is 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid is Cc1c(C(=O)O)c(NCC(O)CN2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid?
The InChIKey is MLDHDOAUDXPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-15-7-3-4-8-16(15)21-18(17(13)19(24)25)20-11-14(23)12-22-9-5-2-6-10-22/h3-4,7-8,14,23H,2,5-6,9-12H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid?
2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-piperidin-1-ylpropyl)amino]-4-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 146134509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).