3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide

C24H22N4O2 — CID 140531563

IUPAC3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ncccc1O
InChIInChI=1S/C24H22N4O2/c1-2-17(23-19(29)13-8-14-26-23)28-24(30)20-16-11-6-7-12-18(16)27-22(21(20)25)15-9-4-3-5-10-15/h3-14,17,29H,2,25H2,1H3,(H,28,30)
InChIKeyHMQGDRKLYNPCDG-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.47
Rot. Bonds5

About 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide

3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide (PubChem CID 140531563) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide
PubChem CID140531563
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ncccc1O
InChIInChI=1S/C24H22N4O2/c1-2-17(23-19(29)13-8-14-26-23)28-24(30)20-16-11-6-7-12-18(16)27-22(21(20)25)15-9-4-3-5-10-15/h3-14,17,29H,2,25H2,1H3,(H,28,30)
InChIKeyHMQGDRKLYNPCDG-UHFFFAOYSA-N
XLogP4.47
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide
CID 140531572
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
3-methylsulfinyl-2-phenyl-N-[(1S)-1-pyridin-3-ylpropyl]quinoline-4-carboxamide
CID 53320156
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
3-[2-[(2-amino-2-phenylacetyl)amino]ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 54177053
3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 52942335
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10600296
3-(1-amino-3-phenylpropoxy)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
CID 174403514
2-[2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethylcarbamoyl]benzoic acid
CID 20679019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide (CID 140531563) is 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide is CCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ncccc1O.
What is the InChIKey of 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is HMQGDRKLYNPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-17(23-19(29)13-8-14-26-23)28-24(30)20-16-11-6-7-12-18(16)27-22(21(20)25)15-9-4-3-5-10-15/h3-14,17,29H,2,25H2,1H3,(H,28,30).
What are the key properties of 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide?
3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 140531563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).