4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide

C17H22N4O — CID 53014192

IUPAC4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C17H22N4O/c1-12(2)20-17(22)13-6-7-15-14(10-13)16(19-11-18-15)21-8-4-3-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyJFBZPJWPPBAYJD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.76
Rot. Bonds3

About 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide

4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide (PubChem CID 53014192) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide
PubChem CID53014192
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C17H22N4O/c1-12(2)20-17(22)13-6-7-15-14(10-13)16(19-11-18-15)21-8-4-3-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyJFBZPJWPPBAYJD-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-piperidin-1-yl-N-propan-2-ylquinazoline-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 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide?
The IUPAC name of 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide (CID 53014192) is 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide is CC(C)NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1.
What is the InChIKey of 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide?
The InChIKey is JFBZPJWPPBAYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)20-17(22)13-6-7-15-14(10-13)16(19-11-18-15)21-8-4-3-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide?
4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-propan-2-ylquinazoline-6-carboxamide is sourced from PubChem (CID 53014192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).