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

C25H24ClN5O2 — CID 69028466

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3cccc(OC[C@@H]4CCNC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C25H24ClN5O2/c26-20-12-18(7-8-22(20)33-15-19-4-1-2-10-28-19)31-25-24-21(29-16-30-25)5-3-6-23(24)32-14-17-9-11-27-13-17/h1-8,10,12,16-17,27H,9,11,13-15H2,(H,29,30,31)/t17-/m1/s1
InChIKeyYZRDSTJGBXDKFP-QGZVFWFLSA-N
MW461.95 g/mol
LogP4.99
Rot. Bonds8

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

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine (PubChem CID 69028466) 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-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine
PubChem CID69028466
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3cccc(OC[C@@H]4CCNC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C25H24ClN5O2/c26-20-12-18(7-8-22(20)33-15-19-4-1-2-10-28-19)31-25-24-21(29-16-30-25)5-3-6-23(24)32-14-17-9-11-27-13-17/h1-8,10,12,16-17,27H,9,11,13-15H2,(H,29,30,31)/t17-/m1/s1
InChIKeyYZRDSTJGBXDKFP-QGZVFWFLSA-N
XLogP4.99
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine
CID 69026757
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine
CID 69024890
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-4-methylpiperazin-2-yl]methoxy]quinazolin-4-amine
CID 69026128
1-[4-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone
CID 69024251
5-[(2R)-2-aminopropoxy]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
CID 69058267
1-[(3S)-3-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone
CID 69028030
sodium 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetate
CID 69491065
1-[(2S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 11569903
1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]-4-methylpiperazin-1-yl]-2-hydroxyethanone
CID 73048998
1-[(2R)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]-4-methylpiperazin-1-yl]-2-hydroxyethanone
CID 11692452
4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxybutanamide
CID 69491882
1-[(2R)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 11606370

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine (CID 69028466) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine is Clc1cc(Nc2ncnc3cccc(OC[C@@H]4CCNC4)c23)ccc1OCc1ccccn1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine?
The InChIKey is YZRDSTJGBXDKFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-20-12-18(7-8-22(20)33-15-19-4-1-2-10-28-19)31-25-24-21(29-16-30-25)5-3-6-23(24)32-14-17-9-11-27-13-17/h1-8,10,12,16-17,27H,9,11,13-15H2,(H,29,30,31)/t17-/m1/s1.
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine has a molecular weight of 461.95 g/mol, XLogP of 4.99, 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-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 69028466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).