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

C25H30N4O — CID 90237040

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1
InChIInChI=1S/C25H30N4O/c1-28(2)19-10-11-22-21(16-19)25(27-24(26-22)18-8-9-18)29-14-12-17(13-15-29)20-6-4-5-7-23(20)30-3/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3
InChIKeyPRJBXYRFMXTWEB-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.97
Rot. Bonds5

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

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine (PubChem CID 90237040) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
PubChem CID90237040
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1
InChIInChI=1S/C25H30N4O/c1-28(2)19-10-11-22-21(16-19)25(27-24(26-22)18-8-9-18)29-14-12-17(13-15-29)20-6-4-5-7-23(20)30-3/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3
InChIKeyPRJBXYRFMXTWEB-UHFFFAOYSA-N
XLogP4.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine (CID 90237040) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
The InChIKey is PRJBXYRFMXTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-28(2)19-10-11-22-21(16-19)25(27-24(26-22)18-8-9-18)29-14-12-17(13-15-29)20-6-4-5-7-23(20)30-3/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine has a molecular weight of 402.54 g/mol, XLogP of 4.97, 5 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,N-dimethylquinazolin-6-amine is sourced from PubChem (CID 90237040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).