N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide

C24H21ClN6O2 — CID 11554402

IUPACN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1)C1CNC1
InChIInChI=1S/C24H21ClN6O2/c25-20-10-17(5-7-22(20)33-13-18-3-1-2-8-27-18)30-23-19-9-16(4-6-21(19)28-14-29-23)31-24(32)15-11-26-12-15/h1-10,14-15,26H,11-13H2,(H,31,32)(H,28,29,30)
InChIKeySZHSJDZFABLRGJ-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.16
Rot. Bonds7

About N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide (PubChem CID 11554402) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
PubChem CID11554402
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1)C1CNC1
InChIInChI=1S/C24H21ClN6O2/c25-20-10-17(5-7-22(20)33-13-18-3-1-2-8-27-18)30-23-19-9-16(4-6-21(19)28-14-29-23)31-24(32)15-11-26-12-15/h1-10,14-15,26H,11-13H2,(H,31,32)(H,28,29,30)
InChIKeySZHSJDZFABLRGJ-UHFFFAOYSA-N
XLogP4.16
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-2-carboxamide
CID 11518265
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 67334878
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-methylpyrrolidine-2-carboxamide
CID 11496823
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 44542371
(2S,4R)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-methoxy-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 67332457
6-N-(3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-yl)-4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 59988534
(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
CID 11569390
(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 59835194
(1R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 67433876
tert-butyl 3-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]oxyazetidine-1-carboxylate
CID 69491695
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-6-yl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 67336493

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide?
The IUPAC name of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide (CID 11554402) is N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide is O=C(Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1)C1CNC1.
What is the InChIKey of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide?
The InChIKey is SZHSJDZFABLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c25-20-10-17(5-7-22(20)33-13-18-3-1-2-8-27-18)30-23-19-9-16(4-6-21(19)28-14-29-23)31-24(32)15-11-26-12-15/h1-10,14-15,26H,11-13H2,(H,31,32)(H,28,29,30).
What are the key properties of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide?
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide has a molecular weight of 460.93 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide is sourced from PubChem (CID 11554402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).