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

C31H41N5O2 — CID 90237301

IUPAC4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C31H41N5O2/c1-31(12-13-31)30-32-27-9-8-24(34(2)16-17-35-18-20-38-21-19-35)22-26(27)29(33-30)36-14-10-23(11-15-36)25-6-4-5-7-28(25)37-3/h4-9,22-23H,10-21H2,1-3H3
InChIKeyCMXQXTSJKVBANJ-UHFFFAOYSA-N
MW515.70 g/mol
LogP4.84
Rot. Bonds8

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

4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (PubChem CID 90237301) has the molecular formula C31H41N5O2 and a molecular weight of 515.70 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
PubChem CID90237301
Molecular FormulaC31H41N5O2
Molecular Weight515.70 g/mol
Exact Mass515.33
IUPAC Name4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C31H41N5O2/c1-31(12-13-31)30-32-27-9-8-24(34(2)16-17-35-18-20-38-21-19-35)22-26(27)29(33-30)36-14-10-23(11-15-36)25-6-4-5-7-28(25)37-3/h4-9,22-23H,10-21H2,1-3H3
InChIKeyCMXQXTSJKVBANJ-UHFFFAOYSA-N
XLogP4.84
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (CID 90237301) is 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The InChIKey is CMXQXTSJKVBANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2/c1-31(12-13-31)30-32-27-9-8-24(34(2)16-17-35-18-20-38-21-19-35)22-26(27)29(33-30)36-14-10-23(11-15-36)25-6-4-5-7-28(25)37-3/h4-9,22-23H,10-21H2,1-3H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine has a molecular weight of 515.70 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is sourced from PubChem (CID 90237301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).