N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine

C25H24ClN5O2 — CID 69026757

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine (PubChem CID 69026757) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine
• PubChem CID: 69026757
• Molecular Formula: C25H24ClN5O2
• Molecular Weight: 461.95 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine
• SMILES: Clc1cc(Nc2ncnc3cccc(OC[C@H]4CCCN4)c23)ccc1OCc1ccccn1
• InChI: InChI=1S/C25H24ClN5O2/c26-20-13-17(9-10-22(20)32-14-18-5-1-2-11-27-18)31-25-24-21(29-16-30-25)7-3-8-23(24)33-15-19-6-4-12-28-19/h1-3,5,7-11,13,16,19,28H,4,6,12,14-15H2,(H,29,30,31)/t19-/m1/s1
• InChIKey: FJUUWJDOKBQRBU-LJQANCHMSA-N
• XLogP: 5.13
• TPSA: 81.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.95
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine?

The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine (CID 69026757) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine.

What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine?

The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine is Clc1cc(Nc2ncnc3cccc(OC[C@H]4CCCN4)c23)ccc1OCc1ccccn1.

What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine?

The InChIKey is FJUUWJDOKBQRBU-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-20-13-17(9-10-22(20)32-14-18-5-1-2-11-27-18)31-25-24-21(29-16-30-25)7-3-8-23(24)33-15-19-6-4-12-28-19/h1-3,5,7-11,13,16,19,28H,4,6,12,14-15H2,(H,29,30,31)/t19-/m1/s1.

What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine?

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine has a molecular weight of 461.95 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 69026757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).