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

C32H42FN5O2 — CID 118617722

IUPAC2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C32H42FN5O2/c1-36(17-18-37-19-21-40-22-20-37)25-9-10-28-27(23-25)30(35-31(34-28)32(33)13-5-6-14-32)38-15-11-24(12-16-38)26-7-3-4-8-29(26)39-2/h3-4,7-10,23-24H,5-6,11-22H2,1-2H3
InChIKeyPKWFJERZJHIEBT-UHFFFAOYSA-N
MW547.72 g/mol
LogP5.53
Rot. Bonds8

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

2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (PubChem CID 118617722) has the molecular formula C32H42FN5O2 and a molecular weight of 547.72 g/mol. Its IUPAC name is 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.

Molecular Properties

Compound Name2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
PubChem CID118617722
Molecular FormulaC32H42FN5O2
Molecular Weight547.72 g/mol
Exact Mass547.33
IUPAC Name2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1
InChIInChI=1S/C32H42FN5O2/c1-36(17-18-37-19-21-40-22-20-37)25-9-10-28-27(23-25)30(35-31(34-28)32(33)13-5-6-14-32)38-15-11-24(12-16-38)26-7-3-4-8-29(26)39-2/h3-4,7-10,23-24H,5-6,11-22H2,1-2H3
InChIKeyPKWFJERZJHIEBT-UHFFFAOYSA-N
XLogP5.53
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.72
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The IUPAC name of 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine (CID 118617722) is 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine.
What is the SMILES notation for 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The canonical SMILES for 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is COc1ccccc1C1CCN(c2nc(C3(F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.
What is the InChIKey of 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
The InChIKey is PKWFJERZJHIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN5O2/c1-36(17-18-37-19-21-40-22-20-37)25-9-10-28-27(23-25)30(35-31(34-28)32(33)13-5-6-14-32)38-15-11-24(12-16-38)26-7-3-4-8-29(26)39-2/h3-4,7-10,23-24H,5-6,11-22H2,1-2H3.
What are the key properties of 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine?
2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine has a molecular weight of 547.72 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine is sourced from PubChem (CID 118617722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).