2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine

C26H32N4O — CID 90236942

IUPAC2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
SMILESCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C26H32N4O/c1-4-29(2)20-11-12-23-22(17-20)26(28-25(27-23)19-9-10-19)30-15-13-18(14-16-30)21-7-5-6-8-24(21)31-3/h5-8,11-12,17-19H,4,9-10,13-16H2,1-3H3
InChIKeyNVIPRMJCYCQETI-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.36
Rot. Bonds6

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

2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine (PubChem CID 90236942) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
PubChem CID90236942
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
SMILESCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C26H32N4O/c1-4-29(2)20-11-12-23-22(17-20)26(28-25(27-23)19-9-10-19)30-15-13-18(14-16-30)21-7-5-6-8-24(21)31-3/h5-8,11-12,17-19H,4,9-10,13-16H2,1-3H3
InChIKeyNVIPRMJCYCQETI-UHFFFAOYSA-N
XLogP5.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine (CID 90236942) is 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine is CCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
The InChIKey is NVIPRMJCYCQETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-4-29(2)20-11-12-23-22(17-20)26(28-25(27-23)19-9-10-19)30-15-13-18(14-16-30)21-7-5-6-8-24(21)31-3/h5-8,11-12,17-19H,4,9-10,13-16H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine has a molecular weight of 416.57 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine is sourced from PubChem (CID 90236942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).