3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

C26H24N2O3 — CID 127048298

IUPAC3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-21(17-10-6-4-7-11-17)28-26(30)23-20-15-14-19(31-2)16-22(20)27-24(25(23)29)18-12-8-5-9-13-18/h4-16,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyUERRLAUBDILGGG-NRFANRHFSA-N
MW412.49 g/mol
LogP5.50
Rot. Bonds6

About 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (PubChem CID 127048298) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID127048298
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-21(17-10-6-4-7-11-17)28-26(30)23-20-15-14-19(31-2)16-22(20)27-24(25(23)29)18-12-8-5-9-13-18/h4-16,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyUERRLAUBDILGGG-NRFANRHFSA-N
XLogP5.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
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-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10600296
N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide
CID 140531572
3-(1-amino-3-phenylpropoxy)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
CID 174403514
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
2-[2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethylcarbamoyl]benzoic acid
CID 20679019
2-(3-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53317131
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (CID 127048298) is 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1.
What is the InChIKey of 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The InChIKey is UERRLAUBDILGGG-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-21(17-10-6-4-7-11-17)28-26(30)23-20-15-14-19(31-2)16-22(20)27-24(25(23)29)18-12-8-5-9-13-18/h4-16,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1.
What are the key properties of 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 127048298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).