N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine

C25H24ClN5O2 — CID 69024890

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine
SMILESClc1cc(Nc2ncnc3cccc(O[C@@H]4CCCNC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C25H24ClN5O2/c26-20-13-17(9-10-22(20)32-15-18-5-1-2-12-28-18)31-25-24-21(29-16-30-25)7-3-8-23(24)33-19-6-4-11-27-14-19/h1-3,5,7-10,12-13,16,19,27H,4,6,11,14-15H2,(H,29,30,31)/t19-/m1/s1
InChIKeyOSGQQHHRPNPAFV-LJQANCHMSA-N
MW461.95 g/mol
LogP5.13
Rot. Bonds7

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine (PubChem CID 69024890) 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)-piperidin-3-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine
PubChem CID69024890
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine
SMILESClc1cc(Nc2ncnc3cccc(O[C@@H]4CCCNC4)c23)ccc1OCc1ccccn1
InChIInChI=1S/C25H24ClN5O2/c26-20-13-17(9-10-22(20)32-15-18-5-1-2-12-28-18)31-25-24-21(29-16-30-25)7-3-8-23(24)33-19-6-4-11-27-14-19/h1-3,5,7-10,12-13,16,19,27H,4,6,11,14-15H2,(H,29,30,31)/t19-/m1/s1
InChIKeyOSGQQHHRPNPAFV-LJQANCHMSA-N
XLogP5.13
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine
CID 69028466
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]quinazolin-4-amine
CID 69026757
5-[(2R)-2-aminopropoxy]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
CID 69058267
1-[(2S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 11569903
sodium 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetate
CID 69491065
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(2R)-4-methylpiperazin-2-yl]methoxy]quinazolin-4-amine
CID 69026128
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(2R)-1-(methylamino)propan-2-yl]oxyquinazolin-4-amine
CID 69055531
4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxybutanamide
CID 69491882
(2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanal
CID 87855567
(3S)-2-tert-butyl-3-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypyrrolidine-1-carboxylic acid
CID 69456903
methyl (2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615532
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine (CID 69024890) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine is Clc1cc(Nc2ncnc3cccc(O[C@@H]4CCCNC4)c23)ccc1OCc1ccccn1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine?
The InChIKey is OSGQQHHRPNPAFV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-20-13-17(9-10-22(20)32-15-18-5-1-2-12-28-18)31-25-24-21(29-16-30-25)7-3-8-23(24)33-19-6-4-11-27-14-19/h1-3,5,7-10,12-13,16,19,27H,4,6,11,14-15H2,(H,29,30,31)/t19-/m1/s1.
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(3R)-piperidin-3-yl]oxyquinazolin-4-amine has a molecular weight of 461.95 g/mol, XLogP of 5.13, 7 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)-piperidin-3-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 69024890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).