2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine

C29H38N4O — CID 118617719

IUPAC2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C3CCCC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C29H38N4O/c1-4-17-32(2)23-13-14-26-25(20-23)29(31-28(30-26)22-9-5-6-10-22)33-18-15-21(16-19-33)24-11-7-8-12-27(24)34-3/h7-8,11-14,20-22H,4-6,9-10,15-19H2,1-3H3
InChIKeyWWZGXCNUBRUVMV-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.53
Rot. Bonds7

About 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine

2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine (PubChem CID 118617719) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
PubChem CID118617719
Molecular FormulaC29H38N4O
Molecular Weight458.65 g/mol
Exact Mass458.30
IUPAC Name2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C3CCCC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C29H38N4O/c1-4-17-32(2)23-13-14-26-25(20-23)29(31-28(30-26)22-9-5-6-10-22)33-18-15-21(16-19-33)24-11-7-8-12-27(24)34-3/h7-8,11-14,20-22H,4-6,9-10,15-19H2,1-3H3
InChIKeyWWZGXCNUBRUVMV-UHFFFAOYSA-N
XLogP6.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The IUPAC name of 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine (CID 118617719) is 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The canonical SMILES for 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine is CCCN(C)c1ccc2nc(C3CCCC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The InChIKey is WWZGXCNUBRUVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O/c1-4-17-32(2)23-13-14-26-25(20-23)29(31-28(30-26)22-9-5-6-10-22)33-18-15-21(16-19-33)24-11-7-8-12-27(24)34-3/h7-8,11-14,20-22H,4-6,9-10,15-19H2,1-3H3.
What are the key properties of 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine has a molecular weight of 458.65 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine is sourced from PubChem (CID 118617719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).