(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone

C20H19N3O — CID 46288114

IUPAC(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCCC3)c2c1
InChIInChI=1S/C20H19N3O/c1-14-9-10-17-16(13-14)18(20(24)23-11-5-6-12-23)19(22-21-17)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyLKKLWBITBMXTIS-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.84
Rot. Bonds2

About (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone

(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 46288114) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID46288114
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCCC3)c2c1
InChIInChI=1S/C20H19N3O/c1-14-9-10-17-16(13-14)18(20(24)23-11-5-6-12-23)19(22-21-17)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyLKKLWBITBMXTIS-UHFFFAOYSA-N
XLogP3.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
CID 46287905
6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288142
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746
N-(3,4-dimethoxyphenyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288104
N-[4-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 6413339
N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288149
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 31223639
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone (CID 46288114) is (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone is Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCCC3)c2c1.
What is the InChIKey of (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is LKKLWBITBMXTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-9-10-17-16(13-14)18(20(24)23-11-5-6-12-23)19(22-21-17)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone?
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46288114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).