2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine

C24H29N5O — CID 90237466

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine
SMILESCOc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1
InChIInChI=1S/C24H29N5O/c1-27(2)18-10-11-20-19(16-18)24(26-23(25-20)17-8-9-17)29-14-12-28(13-15-29)21-6-4-5-7-22(21)30-3/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3
InChIKeyGIPKILYDHHMWQP-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.91
Rot. Bonds5

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine (PubChem CID 90237466) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine
PubChem CID90237466
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine
SMILESCOc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1
InChIInChI=1S/C24H29N5O/c1-27(2)18-10-11-20-19(16-18)24(26-23(25-20)17-8-9-17)29-14-12-28(13-15-29)21-6-4-5-7-22(21)30-3/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3
InChIKeyGIPKILYDHHMWQP-UHFFFAOYSA-N
XLogP3.91
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.91
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-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine (CID 90237466) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine is COc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine?
The InChIKey is GIPKILYDHHMWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-27(2)18-10-11-20-19(16-18)24(26-23(25-20)17-8-9-17)29-14-12-28(13-15-29)21-6-4-5-7-22(21)30-3/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine has a molecular weight of 403.53 g/mol, XLogP of 3.91, 5 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-methoxyphenyl)piperazin-1-yl]-N,N-dimethylquinazolin-6-amine is sourced from PubChem (CID 90237466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).