[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone

C17H26N4O — CID 71835984

IUPAC[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)N1CCCC1)C2
InChIInChI=1S/C17H26N4O/c1-3-20(4-2)17-18-12-14-11-13(7-8-15(14)19-17)16(22)21-9-5-6-10-21/h12-13H,3-11H2,1-2H3
InChIKeyAWBBNIQAJRFSCN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds4

About [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone

[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71835984) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID71835984
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)N1CCCC1)C2
InChIInChI=1S/C17H26N4O/c1-3-20(4-2)17-18-12-14-11-13(7-8-15(14)19-17)16(22)21-9-5-6-10-21/h12-13H,3-11H2,1-2H3
InChIKeyAWBBNIQAJRFSCN-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone 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 [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone (CID 71835984) is [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone is CCN(CC)c1ncc2c(n1)CCC(C(=O)N1CCCC1)C2.
What is the InChIKey of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AWBBNIQAJRFSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-20(4-2)17-18-12-14-11-13(7-8-15(14)19-17)16(22)21-9-5-6-10-21/h12-13H,3-11H2,1-2H3.
What are the key properties of [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone?
[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71835984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).