N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide

C22H24N2O — CID 10830359

IUPACN-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide
SMILESCCC(C)N([11CH3])C(=O)c1nc2ccccc2c(-c2ccccc2)c1C
InChIInChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3/i4-1
InChIKeyDNKULIGQSCRTMX-NUTRPMROSA-N
MW331.45 g/mol
LogP5.08
Rot. Bonds4

About N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide

N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide (PubChem CID 10830359) has the molecular formula C22H24N2O and a molecular weight of 331.45 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide
PubChem CID10830359
Molecular FormulaC22H24N2O
Molecular Weight331.45 g/mol
Exact Mass331.20
IUPAC NameN-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide
SMILESCCC(C)N([11CH3])C(=O)c1nc2ccccc2c(-c2ccccc2)c1C
InChIInChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3/i4-1
InChIKeyDNKULIGQSCRTMX-NUTRPMROSA-N
XLogP5.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
3,4-diphenylquinoline-2-carbohydrazide
CID 69340657
2-(difluoromethyl)-3-methyl-4-phenylquinoline
CID 164676810
N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
CID 10854189
N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide
CID 113337599
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
N-[(2R)-butan-2-yl]-4-(2-fluoro-5-nitrophenyl)-N-(111C)methylquinazoline-2-carboxamide
CID 86300659
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide (CID 10830359) is N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide is CCC(C)N([11CH3])C(=O)c1nc2ccccc2c(-c2ccccc2)c1C.
What is the InChIKey of N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide?
The InChIKey is DNKULIGQSCRTMX-NUTRPMROSA-N. The full InChI is InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3/i4-1.
What are the key properties of N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide?
N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide is sourced from PubChem (CID 10830359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).