4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide

C21H22N2O — CID 66815675

IUPAC4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
SMILESCCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-4-21(2,3)17-11-9-15(10-12-17)20(24)23-18-13-16-7-5-6-8-19(16)22-14-18/h5-14H,4H2,1-3H3,(H,23,24)
InChIKeyGNXMVHAUPNKUFB-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.17
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide

4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide (PubChem CID 66815675) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
PubChem CID66815675
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
SMILESCCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-4-21(2,3)17-11-9-15(10-12-17)20(24)23-18-13-16-7-5-6-8-19(16)22-14-18/h5-14H,4H2,1-3H3,(H,23,24)
InChIKeyGNXMVHAUPNKUFB-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-tert-butyl-N-(1-oxidoquinolin-1-ium-3-yl)benzamide;4-tert-butyl-N-quinolin-3-ylbenzamide
CID 161377492
N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
CID 58639670
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
CID 5302815
4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
CID 91641553
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
3-(dipropylamino)-N-quinolin-3-ylbenzamide
CID 66815676
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide (CID 66815675) is 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide is CCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide?
The InChIKey is GNXMVHAUPNKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-4-21(2,3)17-11-9-15(10-12-17)20(24)23-18-13-16-7-5-6-8-19(16)22-14-18/h5-14H,4H2,1-3H3,(H,23,24).
What are the key properties of 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide?
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 66815675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).