N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C17H24N4O — CID 71835821

IUPACN-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(NC1CC1)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H24N4O/c22-16(19-14-5-6-14)12-4-7-15-13(10-12)11-18-17(20-15)21-8-2-1-3-9-21/h11-12,14H,1-10H2,(H,19,22)
InChIKeyDKKFQAGOIPQBOR-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.85
Rot. Bonds3

About N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71835821) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71835821
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(NC1CC1)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H24N4O/c22-16(19-14-5-6-14)12-4-7-15-13(10-12)11-18-17(20-15)21-8-2-1-3-9-21/h11-12,14H,1-10H2,(H,19,22)
InChIKeyDKKFQAGOIPQBOR-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-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-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71835821) is N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is O=C(NC1CC1)C1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is DKKFQAGOIPQBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-16(19-14-5-6-14)12-4-7-15-13(10-12)11-18-17(20-15)21-8-2-1-3-9-21/h11-12,14H,1-10H2,(H,19,22).
What are the key properties of N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71835821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).