methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate

C21H18N2O3 — CID 150983281

IUPACmethyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate
SMILESCOC(=O)c1ccc2nc3n(c(=O)c2c1)CCCC3=Cc1ccccc1
InChIInChI=1S/C21H18N2O3/c1-26-21(25)16-9-10-18-17(13-16)20(24)23-11-5-8-15(19(23)22-18)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChIKeyLQNVNMUPTJNTDO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.52
Rot. Bonds2

About methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate

methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate (PubChem CID 150983281) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate
PubChem CID150983281
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate
SMILESCOC(=O)c1ccc2nc3n(c(=O)c2c1)CCCC3=Cc1ccccc1
InChIInChI=1S/C21H18N2O3/c1-26-21(25)16-9-10-18-17(13-16)20(24)23-11-5-8-15(19(23)22-18)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChIKeyLQNVNMUPTJNTDO-UHFFFAOYSA-N
XLogP3.52
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[(3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl)-methylcarbamoyl]benzoate
CID 86740705
methyl 4-[(E)-(6-amino-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]benzoate
CID 13282366
(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 163214386
7-amino-3-benzylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54009576
methyl 4-[(6-nitro-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]benzoate
CID 54190959
9-oxo-3-[(4-phenylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 3518373
(3E)-3-(naphthalen-2-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 16555528
methyl 4-[(3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl)amino]-4-oxobutanoate
CID 54398765
(3E)-3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 6184592
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 7076654
methyl 2-[(E)-(6-chloro-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]benzoate
CID 9033519
(3Z)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 20849991

Frequently Asked Questions

What is the IUPAC name of methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate?
The IUPAC name of methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate (CID 150983281) is methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate.
What is the SMILES notation for methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate?
The canonical SMILES for methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate is COC(=O)c1ccc2nc3n(c(=O)c2c1)CCCC3=Cc1ccccc1.
What is the InChIKey of methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate?
The InChIKey is LQNVNMUPTJNTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-21(25)16-9-10-18-17(13-16)20(24)23-11-5-8-15(19(23)22-18)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3.
What are the key properties of methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate?
methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate is sourced from PubChem (CID 150983281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).