(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone

C24H21N3O2 — CID 142858154

IUPAC(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
SMILESCCOc1ccc(C(=O)c2ccc(Nc3ncnc4ccc(C)cc34)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-3-29-20-11-7-18(8-12-20)23(28)17-5-9-19(10-6-17)27-24-21-14-16(2)4-13-22(21)25-15-26-24/h4-15H,3H2,1-2H3,(H,25,26,27)
InChIKeyUZDFPNYSURSRRF-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.31
Rot. Bonds6

About (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone

(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone (PubChem CID 142858154) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
PubChem CID142858154
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
SMILESCCOc1ccc(C(=O)c2ccc(Nc3ncnc4ccc(C)cc34)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-3-29-20-11-7-18(8-12-20)23(28)17-5-9-19(10-6-17)27-24-21-14-16(2)4-13-22(21)25-15-26-24/h4-15H,3H2,1-2H3,(H,25,26,27)
InChIKeyUZDFPNYSURSRRF-UHFFFAOYSA-N
XLogP5.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
N'-[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22533505
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
diethyl 2-[[(6-methylquinazolin-4-yl)amino]methylidene]propanedioate
CID 13060478
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164578005
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone (CID 142858154) is (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone is CCOc1ccc(C(=O)c2ccc(Nc3ncnc4ccc(C)cc34)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone?
The InChIKey is UZDFPNYSURSRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-3-29-20-11-7-18(8-12-20)23(28)17-5-9-19(10-6-17)27-24-21-14-16(2)4-13-22(21)25-15-26-24/h4-15H,3H2,1-2H3,(H,25,26,27).
What are the key properties of (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone?
(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone has a molecular weight of 383.45 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone is sourced from PubChem (CID 142858154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).