N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide

C19H23N3O2 — CID 92714761

IUPACN-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)c1
InChIInChI=1S/C19H23N3O2/c1-12-4-5-17-15(7-12)10-19(24)22(21-17)11-18(23)20-16-8-13(2)6-14(3)9-16/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyVEQUGNFBXCBKRS-LBPRGKRZSA-N
MW325.41 g/mol
LogP2.62
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide

N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide (PubChem CID 92714761) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
PubChem CID92714761
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)c1
InChIInChI=1S/C19H23N3O2/c1-12-4-5-17-15(7-12)10-19(24)22(21-17)11-18(23)20-16-8-13(2)6-14(3)9-16/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyVEQUGNFBXCBKRS-LBPRGKRZSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(6R)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
CID 92714770
N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892385
N-(3,5-dimethylphenyl)-2-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl]acetamide
CID 1193754
2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide
CID 83272211
N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5308018
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
ethyl 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369781
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022
2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)-N-(3-methylphenyl)acetamide
CID 2793203
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892371
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 9420775
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide (CID 92714761) is N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide?
The InChIKey is VEQUGNFBXCBKRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-4-5-17-15(7-12)10-19(24)22(21-17)11-18(23)20-16-8-13(2)6-14(3)9-16/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide is sourced from PubChem (CID 92714761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).