3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine

C50H46N4O5 — CID 158520484

IUPAC3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
SMILESCCC(N)c1ccccc1.CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1.O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2.C16H11NO3.C9H13N/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18;18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10;1-2-9(10)8-6-4-3-5-7-8/h3-16,20,28H,2H2,1H3,(H,27,29);1-9,18H,(H,19,20);3-7,9H,2,10H2,1H3
InChIKeyHMDRHZHWJHQAQH-UHFFFAOYSA-N
MW782.94 g/mol
LogP10.89
Rot. Bonds9

About 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine

3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine (PubChem CID 158520484) has the molecular formula C50H46N4O5 and a molecular weight of 782.94 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
PubChem CID158520484
Molecular FormulaC50H46N4O5
Molecular Weight782.94 g/mol
Exact Mass782.35
IUPAC Name3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
SMILESCCC(N)c1ccccc1.CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1.O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2.C16H11NO3.C9H13N/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18;18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10;1-2-9(10)8-6-4-3-5-7-8/h3-16,20,28H,2H2,1H3,(H,27,29);1-9,18H,(H,19,20);3-7,9H,2,10H2,1H3
InChIKeyHMDRHZHWJHQAQH-UHFFFAOYSA-N
XLogP10.89
TPSA158.66 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.94
LogP ≤ 510.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 127048298
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10600296
3-[2-[(2-amino-2-phenylacetyl)amino]ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 54177053
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
N-[1-(3-fluorophenyl)propyl]-3-(methanesulfonamido)-2-phenylquinoline-4-carboxamide
CID 23649190
3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide
CID 140531563
3-methylsulfinyl-2-phenyl-N-[(1S)-1-pyridin-3-ylpropyl]quinoline-4-carboxamide
CID 53320156
4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144802689

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine?
The IUPAC name of 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine (CID 158520484) is 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine.
What is the SMILES notation for 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine?
The canonical SMILES for 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine is CCC(N)c1ccccc1.CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1.O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine?
The InChIKey is HMDRHZHWJHQAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2.C16H11NO3.C9H13N/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18;18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10;1-2-9(10)8-6-4-3-5-7-8/h3-16,20,28H,2H2,1H3,(H,27,29);1-9,18H,(H,19,20);3-7,9H,2,10H2,1H3.
What are the key properties of 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine?
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine has a molecular weight of 782.94 g/mol, XLogP of 10.89, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine is sourced from PubChem (CID 158520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).