[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone

C29H28N2O2 — CID 132766947

IUPAC[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(Cc4cnc5ccccc5c4)C3)c2C)cc1
InChIInChI=1S/C29H28N2O2/c1-20-26(23-10-12-25(33-2)13-11-23)7-5-8-27(20)29(32)31-15-14-21(19-31)16-22-17-24-6-3-4-9-28(24)30-18-22/h3-13,17-18,21H,14-16,19H2,1-2H3
InChIKeyRMBAVDWVQUNYSU-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.92
Rot. Bonds5

About [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone

[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 132766947) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID132766947
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(Cc4cnc5ccccc5c4)C3)c2C)cc1
InChIInChI=1S/C29H28N2O2/c1-20-26(23-10-12-25(33-2)13-11-23)7-5-8-27(20)29(32)31-15-14-21(19-31)16-22-17-24-6-3-4-9-28(24)30-18-22/h3-13,17-18,21H,14-16,19H2,1-2H3
InChIKeyRMBAVDWVQUNYSU-UHFFFAOYSA-N
XLogP5.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2-phenylphenyl)-[6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110148510
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170072
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone
CID 132766618
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 132766947) is [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone is COc1ccc(-c2cccc(C(=O)N3CCC(Cc4cnc5ccccc5c4)C3)c2C)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RMBAVDWVQUNYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-20-26(23-10-12-25(33-2)13-11-23)7-5-8-27(20)29(32)31-15-14-21(19-31)16-22-17-24-6-3-4-9-28(24)30-18-22/h3-13,17-18,21H,14-16,19H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 436.56 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 132766947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).