(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C23H28N2O4 — CID 110359620

IUPAC(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccc(N4CCCC4)cc32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O4/c1-27-20-13-17(14-21(28-2)22(20)29-3)23(26)25-12-6-7-16-8-9-18(15-19(16)25)24-10-4-5-11-24/h8-9,13-15H,4-7,10-12H2,1-3H3
InChIKeyGQKVEHWNEPOLMZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.91
Rot. Bonds5

About (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 110359620) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID110359620
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccc(N4CCCC4)cc32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O4/c1-27-20-13-17(14-21(28-2)22(20)29-3)23(26)25-12-6-7-16-8-9-18(15-19(16)25)24-10-4-5-11-24/h8-9,13-15H,4-7,10-12H2,1-3H3
InChIKeyGQKVEHWNEPOLMZ-UHFFFAOYSA-N
XLogP3.91
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315902
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 110613094
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1183918
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110361706
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28760
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820
(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 51289133

Frequently Asked Questions

What is the IUPAC name of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 110359620) is (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCCc3ccc(N4CCCC4)cc32)cc(OC)c1OC.
What is the InChIKey of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GQKVEHWNEPOLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-27-20-13-17(14-21(28-2)22(20)29-3)23(26)25-12-6-7-16-8-9-18(15-19(16)25)24-10-4-5-11-24/h8-9,13-15H,4-7,10-12H2,1-3H3.
What are the key properties of (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 396.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 110359620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).