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

C27H34N4O2 — CID 90237648

IUPAC2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
SMILESCOCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C27H34N4O2/c1-30(16-17-32-2)21-10-11-24-23(18-21)27(29-26(28-24)20-8-9-20)31-14-12-19(13-15-31)22-6-4-5-7-25(22)33-3/h4-7,10-11,18-20H,8-9,12-17H2,1-3H3
InChIKeyDROZWECPKCAFDI-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.98
Rot. Bonds8

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

2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine (PubChem CID 90237648) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
PubChem CID90237648
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
SMILESCOCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C27H34N4O2/c1-30(16-17-32-2)21-10-11-24-23(18-21)27(29-26(28-24)20-8-9-20)31-14-12-19(13-15-31)22-6-4-5-7-25(22)33-3/h4-7,10-11,18-20H,8-9,12-17H2,1-3H3
InChIKeyDROZWECPKCAFDI-UHFFFAOYSA-N
XLogP4.98
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine (CID 90237648) is 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine is COCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
The InChIKey is DROZWECPKCAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-30(16-17-32-2)21-10-11-24-23(18-21)27(29-26(28-24)20-8-9-20)31-14-12-19(13-15-31)22-6-4-5-7-25(22)33-3/h4-7,10-11,18-20H,8-9,12-17H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine?
2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine has a molecular weight of 446.60 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine is sourced from PubChem (CID 90237648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).