N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

C17H15N3O2 — CID 53014044

IUPACN-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc2nc3c(C(=O)NC4CC4)cccn3c(=O)c2c1
InChIInChI=1S/C17H15N3O2/c1-10-4-7-14-13(9-10)17(22)20-8-2-3-12(15(20)19-14)16(21)18-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,18,21)
InChIKeyMGMSFUOQEPFPNB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.05
Rot. Bonds2

About N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 53014044) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID53014044
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc2nc3c(C(=O)NC4CC4)cccn3c(=O)c2c1
InChIInChI=1S/C17H15N3O2/c1-10-4-7-14-13(9-10)17(22)20-8-2-3-12(15(20)19-14)16(21)18-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,18,21)
InChIKeyMGMSFUOQEPFPNB-UHFFFAOYSA-N
XLogP2.05
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-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 N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (CID 53014044) is N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is Cc1ccc2nc3c(C(=O)NC4CC4)cccn3c(=O)c2c1.
What is the InChIKey of N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is MGMSFUOQEPFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-4-7-14-13(9-10)17(22)20-8-2-3-12(15(20)19-14)16(21)18-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 53014044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).