(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C29H23N5O3 — CID 166197072

IUPAC(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccccc3)CC4)cnc2n(C)c1=O
InChIInChI=1S/C29H23N5O3/c1-33-26-22(28(36)34(2)29(33)37)15-19(16-30-26)31-27(35)24-20-10-6-7-11-23(20)32-25-18(12-13-21(24)25)14-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)/b18-14-
InChIKeyYLDBUTBPBZSRAH-JXAWBTAJSA-N
MW489.54 g/mol
LogP3.92
Rot. Bonds3

About (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 166197072) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID166197072
Molecular FormulaC29H23N5O3
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC Name(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccccc3)CC4)cnc2n(C)c1=O
InChIInChI=1S/C29H23N5O3/c1-33-26-22(28(36)34(2)29(33)37)15-19(16-30-26)31-27(35)24-20-10-6-7-11-23(20)32-25-18(12-13-21(24)25)14-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)/b18-14-
InChIKeyYLDBUTBPBZSRAH-JXAWBTAJSA-N
XLogP3.92
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 166197072) is (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is Cn1c(=O)c2cc(NC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccccc3)CC4)cnc2n(C)c1=O.
What is the InChIKey of (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is YLDBUTBPBZSRAH-JXAWBTAJSA-N. The full InChI is InChI=1S/C29H23N5O3/c1-33-26-22(28(36)34(2)29(33)37)15-19(16-30-26)31-27(35)24-20-10-6-7-11-23(20)32-25-18(12-13-21(24)25)14-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)/b18-14-.
What are the key properties of (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 166197072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).