3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one

C22H18ClFN4O3 — CID 67669299

IUPAC3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCc1ccc[nH]c1=O
InChIInChI=1S/C22H18ClFN4O3/c1-30-19-10-15-18(11-20(19)31-8-6-13-3-2-7-25-22(13)29)26-12-27-21(15)28-17-5-4-14(23)9-16(17)24/h2-5,7,9-12H,6,8H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyQGXVVXVKJCINQR-UHFFFAOYSA-N
MW440.86 g/mol
LogP4.48
Rot. Bonds7

About 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one

3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one (PubChem CID 67669299) has the molecular formula C22H18ClFN4O3 and a molecular weight of 440.86 g/mol. Its IUPAC name is 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one
PubChem CID67669299
Molecular FormulaC22H18ClFN4O3
Molecular Weight440.86 g/mol
Exact Mass440.11
IUPAC Name3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCc1ccc[nH]c1=O
InChIInChI=1S/C22H18ClFN4O3/c1-30-19-10-15-18(11-20(19)31-8-6-13-3-2-7-25-22(13)29)26-12-27-21(15)28-17-5-4-14(23)9-16(17)24/h2-5,7,9-12H,6,8H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyQGXVVXVKJCINQR-UHFFFAOYSA-N
XLogP4.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one 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-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301
1-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]pyrrolidin-2-one
CID 18753416
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridin-4-yl)amino]ethoxy]quinazolin-4-amine
CID 5329026
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
2-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethylamino]-2-methoxypropanal
CID 91055671
N-(4-chloro-2-fluorophenyl)-7-[2-[(2,6-dimethyl-4-pyridinyl)-methylamino]ethoxy]-6-methoxyquinazolin-4-amine
CID 22624991
N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride
CID 22625051
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl-(6-methylpyrimidin-4-yl)amino]ethoxy]quinazolin-4-amine;hydrochloride
CID 22624940

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one (CID 67669299) is 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCc1ccc[nH]c1=O.
What is the InChIKey of 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one?
The InChIKey is QGXVVXVKJCINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3/c1-30-19-10-15-18(11-20(19)31-8-6-13-3-2-7-25-22(13)29)26-12-27-21(15)28-17-5-4-14(23)9-16(17)24/h2-5,7,9-12H,6,8H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one?
3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one has a molecular weight of 440.86 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]-1H-pyridin-2-one is sourced from PubChem (CID 67669299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).