4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide

C18H22N4O2 — CID 124873744

IUPAC4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)cc1
InChIInChI=1S/C18H22N4O2/c1-21(2)15-7-4-12(5-8-15)18(24)19-14-6-9-16-13(10-14)11-17(23)22(3)20-16/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyWMDOFDSHIASQEN-AWEZNQCLSA-N
MW326.40 g/mol
LogP1.13
Rot. Bonds3

About 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide

4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide (PubChem CID 124873744) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
PubChem CID124873744
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)cc1
InChIInChI=1S/C18H22N4O2/c1-21(2)15-7-4-12(5-8-15)18(24)19-14-6-9-16-13(10-14)11-17(23)22(3)20-16/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyWMDOFDSHIASQEN-AWEZNQCLSA-N
XLogP1.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide with MolForge

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Related Compounds

4-iodo-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)benzamide
CID 166979406
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
CID 129416200
2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 163924526
5-chloro-2-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752090
2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752073
2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
CID 100751706
2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
CID 91632677
N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
CID 163446789
N-[2-(oxan-4-yl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
CID 163932662
N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
CID 100751893
(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
CID 129418294
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 121199716

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide (CID 124873744) is 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide is CN(C)c1ccc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
The InChIKey is WMDOFDSHIASQEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)15-7-4-12(5-8-15)18(24)19-14-6-9-16-13(10-14)11-17(23)22(3)20-16/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,19,24)/t14-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide is sourced from PubChem (CID 124873744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).