N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

C21H17N3O2 — CID 3297403

IUPACN-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2nc3ccccc3c(=O)n2c1
InChIInChI=1S/C21H17N3O2/c1-23(13-15-7-3-2-4-8-15)20(25)16-11-12-19-22-18-10-6-5-9-17(18)21(26)24(19)14-16/h2-12,14H,13H2,1H3
InChIKeyKBNLESBYHDMMHP-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.12
Rot. Bonds3

About N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (PubChem CID 3297403) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
PubChem CID3297403
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2nc3ccccc3c(=O)n2c1
InChIInChI=1S/C21H17N3O2/c1-23(13-15-7-3-2-4-8-15)20(25)16-11-12-19-22-18-10-6-5-9-17(18)21(26)24(19)14-16/h2-12,14H,13H2,1H3
InChIKeyKBNLESBYHDMMHP-UHFFFAOYSA-N
XLogP3.12
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[2-(dimethylamino)ethyl-ethylamino]-2-ethyl-N-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 46948023
8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
CID 17395203
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The IUPAC name of N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (CID 3297403) is N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2nc3ccccc3c(=O)n2c1.
What is the InChIKey of N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The InChIKey is KBNLESBYHDMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-23(13-15-7-3-2-4-8-15)20(25)16-11-12-19-22-18-10-6-5-9-17(18)21(26)24(19)14-16/h2-12,14H,13H2,1H3.
What are the key properties of N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is sourced from PubChem (CID 3297403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).