1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide

C25H23N5O2 — CID 136613223

IUPAC1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
SMILESCc1ccc2c(N3CC(C(=O)NCc4ccccn4)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H23N5O2/c1-16-9-10-19-21(12-16)28-23(20-7-2-3-8-22(20)31)29-24(19)30-14-17(15-30)25(32)27-13-18-6-4-5-11-26-18/h2-12,17,31H,13-15H2,1H3,(H,27,32)
InChIKeyMQZFYSMAASSUGC-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide

1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide (PubChem CID 136613223) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
PubChem CID136613223
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
SMILESCc1ccc2c(N3CC(C(=O)NCc4ccccn4)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H23N5O2/c1-16-9-10-19-21(12-16)28-23(20-7-2-3-8-22(20)31)29-24(19)30-14-17(15-30)25(32)27-13-18-6-4-5-11-26-18/h2-12,17,31H,13-15H2,1H3,(H,27,32)
InChIKeyMQZFYSMAASSUGC-UHFFFAOYSA-N
XLogP3.46
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]azetidine-3-carboxylic acid;1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-3-ylmethyl)azetidine-3-carboxamide
CID 162196995
N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 159426749
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 162119129
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
CID 158731625
2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 140544636
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 159506141
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3,3-dimethylbutanamide;molecular hydrogen
CID 160958505
butane;2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 143245075
molecular hydrogen;propan-2-yl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 158588972
molecular hydrogen;propyl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 160934075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide (CID 136613223) is 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide is Cc1ccc2c(N3CC(C(=O)NCc4ccccn4)C3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The InChIKey is MQZFYSMAASSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-9-10-19-21(12-16)28-23(20-7-2-3-8-22(20)31)29-24(19)30-14-17(15-30)25(32)27-13-18-6-4-5-11-26-18/h2-12,17,31H,13-15H2,1H3,(H,27,32).
What are the key properties of 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 136613223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).