2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine

C31H41N5O2 — CID 118617574

IUPAC2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C31H41N5O2/c1-34(16-17-35-18-20-38-21-19-35)25-10-11-28-27(22-25)31(33-30(32-28)24-6-5-7-24)36-14-12-23(13-15-36)26-8-3-4-9-29(26)37-2/h3-4,8-11,22-24H,5-7,12-21H2,1-2H3
InChIKeyROJZVNWDQVWWRX-UHFFFAOYSA-N
MW515.70 g/mol
LogP5.06
Rot. Bonds8

About 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine

2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (PubChem CID 118617574) has the molecular formula C31H41N5O2 and a molecular weight of 515.70 g/mol. Its IUPAC name is 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.

Molecular Properties

Compound Name2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
PubChem CID118617574
Molecular FormulaC31H41N5O2
Molecular Weight515.70 g/mol
Exact Mass515.33
IUPAC Name2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C31H41N5O2/c1-34(16-17-35-18-20-38-21-19-35)25-10-11-28-27(22-25)31(33-30(32-28)24-6-5-7-24)36-14-12-23(13-15-36)26-8-3-4-9-29(26)37-2/h3-4,8-11,22-24H,5-7,12-21H2,1-2H3
InChIKeyROJZVNWDQVWWRX-UHFFFAOYSA-N
XLogP5.06
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The IUPAC name of 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (CID 118617574) is 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.
What is the SMILES notation for 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The canonical SMILES for 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is COc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.
What is the InChIKey of 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The InChIKey is ROJZVNWDQVWWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2/c1-34(16-17-35-18-20-38-21-19-35)25-10-11-28-27(22-25)31(33-30(32-28)24-6-5-7-24)36-14-12-23(13-15-36)26-8-3-4-9-29(26)37-2/h3-4,8-11,22-24H,5-7,12-21H2,1-2H3.
What are the key properties of 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine has a molecular weight of 515.70 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is sourced from PubChem (CID 118617574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).