(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C25H25N3O — CID 119550508

IUPAC(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)C1CCNC1
InChIInChI=1S/C25H25N3O/c1-28(19-13-14-26-16-19)25(29)23-20-9-5-6-10-22(20)27-24-18(11-12-21(23)24)15-17-7-3-2-4-8-17/h2-10,15,19,26H,11-14,16H2,1H3/b18-15-
InChIKeyACDZOAGYDDQOPZ-SDXDJHTJSA-N
MW383.50 g/mol
LogP4.16
Rot. Bonds3

About (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 119550508) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID119550508
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)C1CCNC1
InChIInChI=1S/C25H25N3O/c1-28(19-13-14-26-16-19)25(29)23-20-9-5-6-10-22(20)27-24-18(11-12-21(23)24)15-17-7-3-2-4-8-17/h2-10,15,19,26H,11-14,16H2,1H3/b18-15-
InChIKeyACDZOAGYDDQOPZ-SDXDJHTJSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 119550508) is (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is CN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)C1CCNC1.
What is the InChIKey of (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is ACDZOAGYDDQOPZ-SDXDJHTJSA-N. The full InChI is InChI=1S/C25H25N3O/c1-28(19-13-14-26-16-19)25(29)23-20-9-5-6-10-22(20)27-24-18(11-12-21(23)24)15-17-7-3-2-4-8-17/h2-10,15,19,26H,11-14,16H2,1H3/b18-15-.
What are the key properties of (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
(3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-N-methyl-N-pyrrolidin-3-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 119550508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).