4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide

C26H27N3O2 — CID 144802689

IUPAC4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide
SMILESCCC(C)c1ccncc1.CNC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H14N2O2.C9H13N/c1-18-17(21)14-12-9-5-6-10-13(12)19-15(16(14)20)11-7-3-2-4-8-11;1-3-8(2)9-4-6-10-7-5-9/h2-10,20H,1H3,(H,18,21);4-8H,3H2,1-2H3
InChIKeyBYKFBTOCSIJSQQ-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.56
Rot. Bonds4

About 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide

4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 144802689) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide
PubChem CID144802689
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide
SMILESCCC(C)c1ccncc1.CNC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H14N2O2.C9H13N/c1-18-17(21)14-12-9-5-6-10-13(12)19-15(16(14)20)11-7-3-2-4-8-11;1-3-8(2)9-4-6-10-7-5-9/h2-10,20H,1H3,(H,18,21);4-8H,3H2,1-2H3
InChIKeyBYKFBTOCSIJSQQ-UHFFFAOYSA-N
XLogP5.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.56
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-hydroxy-2-phenylquinolin-4-yl)-phenylmethanone
CID 132540835
3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide
CID 143407379
3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 127048298
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-hydroxy-N-[(2-methyl-1H-imidazol-5-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
CID 24739952
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
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
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
CID 4282482

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide (CID 144802689) is 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide is CCC(C)c1ccncc1.CNC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is BYKFBTOCSIJSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C9H13N/c1-18-17(21)14-12-9-5-6-10-13(12)19-15(16(14)20)11-7-3-2-4-8-11;1-3-8(2)9-4-6-10-7-5-9/h2-10,20H,1H3,(H,18,21);4-8H,3H2,1-2H3.
What are the key properties of 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide?
4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylpyridine;3-hydroxy-N-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 144802689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).