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

C27H34N4O — CID 90237332

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C27H34N4O/c1-4-15-30(2)21-11-12-24-23(18-21)27(29-26(28-24)20-9-10-20)31-16-13-19(14-17-31)22-7-5-6-8-25(22)32-3/h5-8,11-12,18-20H,4,9-10,13-17H2,1-3H3
InChIKeyUZLNDCSWMFJDMK-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.75
Rot. Bonds7

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

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine (PubChem CID 90237332) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
PubChem CID90237332
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C27H34N4O/c1-4-15-30(2)21-11-12-24-23(18-21)27(29-26(28-24)20-9-10-20)31-16-13-19(14-17-31)22-7-5-6-8-25(22)32-3/h5-8,11-12,18-20H,4,9-10,13-17H2,1-3H3
InChIKeyUZLNDCSWMFJDMK-UHFFFAOYSA-N
XLogP5.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.75
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-methyl-N-propylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine (CID 90237332) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine is CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The InChIKey is UZLNDCSWMFJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-4-15-30(2)21-11-12-24-23(18-21)27(29-26(28-24)20-9-10-20)31-16-13-19(14-17-31)22-7-5-6-8-25(22)32-3/h5-8,11-12,18-20H,4,9-10,13-17H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine has a molecular weight of 430.60 g/mol, XLogP of 5.75, 7 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-methyl-N-propylquinazolin-6-amine is sourced from PubChem (CID 90237332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).