2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine

C28H36N4O — CID 118617765

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C
InChIInChI=1S/C28H36N4O/c1-5-14-31(3)25-18-23-24(17-19(25)2)29-27(21-10-11-21)30-28(23)32-15-12-20(13-16-32)22-8-6-7-9-26(22)33-4/h6-9,17-18,20-21H,5,10-16H2,1-4H3
InChIKeyKSHXVUSDZMOQHM-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.05
Rot. Bonds7

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine (PubChem CID 118617765) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine
PubChem CID118617765
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C
InChIInChI=1S/C28H36N4O/c1-5-14-31(3)25-18-23-24(17-19(25)2)29-27(21-10-11-21)30-28(23)32-15-12-20(13-16-32)22-8-6-7-9-26(22)33-4/h6-9,17-18,20-21H,5,10-16H2,1-4H3
InChIKeyKSHXVUSDZMOQHM-UHFFFAOYSA-N
XLogP6.05
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine 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-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine (CID 118617765) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine is CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine?
The InChIKey is KSHXVUSDZMOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-5-14-31(3)25-18-23-24(17-19(25)2)29-27(21-10-11-21)30-28(23)32-15-12-20(13-16-32)22-8-6-7-9-26(22)33-4/h6-9,17-18,20-21H,5,10-16H2,1-4H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine has a molecular weight of 444.62 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,7-dimethyl-N-propylquinazolin-6-amine is sourced from PubChem (CID 118617765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).