2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine

C25H37N5O — CID 118610329

IUPAC2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4OC)CC3)c2c1
InChIInChI=1S/C25H37N5O/c1-4-12-28(2)19-10-11-21-20(17-19)25(27-24(26-21)18-8-9-18)30-15-13-29(14-16-30)22-6-5-7-23(22)31-3/h10-11,17-18,22-23H,4-9,12-16H2,1-3H3
InChIKeyAWSDFFYJPSLCOG-UHFFFAOYSA-N
MW423.61 g/mol
LogP4.04
Rot. Bonds7

About 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine

2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine (PubChem CID 118610329) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine
PubChem CID118610329
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4OC)CC3)c2c1
InChIInChI=1S/C25H37N5O/c1-4-12-28(2)19-10-11-21-20(17-19)25(27-24(26-21)18-8-9-18)30-15-13-29(14-16-30)22-6-5-7-23(22)31-3/h10-11,17-18,22-23H,4-9,12-16H2,1-3H3
InChIKeyAWSDFFYJPSLCOG-UHFFFAOYSA-N
XLogP4.04
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine (CID 118610329) is 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine is CCCN(C)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4OC)CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The InChIKey is AWSDFFYJPSLCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-4-12-28(2)19-10-11-21-20(17-19)25(27-24(26-21)18-8-9-18)30-15-13-29(14-16-30)22-6-5-7-23(22)31-3/h10-11,17-18,22-23H,4-9,12-16H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine has a molecular weight of 423.61 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine is sourced from PubChem (CID 118610329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).