N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

C23H25N3O2 — CID 22551015

IUPACN-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3
InChIInChI=1S/C23H25N3O2/c1-16(2)26(15-17-8-4-3-5-9-17)22(27)18-11-12-19-20(14-18)24-21-10-6-7-13-25(21)23(19)28/h3-5,8-9,11-12,14,16H,6-7,10,13,15H2,1-2H3
InChIKeyYSUMVPYUYZUVFB-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.78
Rot. Bonds4

About N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 22551015) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
PubChem CID22551015
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3
InChIInChI=1S/C23H25N3O2/c1-16(2)26(15-17-8-4-3-5-9-17)22(27)18-11-12-19-20(14-18)24-21-10-6-7-13-25(21)23(19)28/h3-5,8-9,11-12,14,16H,6-7,10,13,15H2,1-2H3
InChIKeyYSUMVPYUYZUVFB-UHFFFAOYSA-N
XLogP3.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-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-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide (CID 22551015) is N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3.
What is the InChIKey of N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The InChIKey is YSUMVPYUYZUVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)26(15-17-8-4-3-5-9-17)22(27)18-11-12-19-20(14-18)24-21-10-6-7-13-25(21)23(19)28/h3-5,8-9,11-12,14,16H,6-7,10,13,15H2,1-2H3.
What are the key properties of N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 22551015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).