6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane

C20H22ClFN4O — CID 167487704

IUPAC6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane
SMILESCC.Cc1ccc(Nc2ncnc3cc(O)c(C4CNC4)cc23)c(F)c1Cl
InChIInChI=1S/C18H16ClFN4O.C2H6/c1-9-2-3-13(17(20)16(9)19)24-18-12-4-11(10-6-21-7-10)15(25)5-14(12)22-8-23-18;1-2/h2-5,8,10,21,25H,6-7H2,1H3,(H,22,23,24);1-2H3
InChIKeyCUMYZTNOJHIYSI-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.89
Rot. Bonds3

About 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane

6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane (PubChem CID 167487704) has the molecular formula C20H22ClFN4O and a molecular weight of 388.87 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane.

Molecular Properties

Compound Name6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane
PubChem CID167487704
Molecular FormulaC20H22ClFN4O
Molecular Weight388.87 g/mol
Exact Mass388.15
IUPAC Name6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane
SMILESCC.Cc1ccc(Nc2ncnc3cc(O)c(C4CNC4)cc23)c(F)c1Cl
InChIInChI=1S/C18H16ClFN4O.C2H6/c1-9-2-3-13(17(20)16(9)19)24-18-12-4-11(10-6-21-7-10)15(25)5-14(12)22-8-23-18;1-2/h2-5,8,10,21,25H,6-7H2,1H3,(H,22,23,24);1-2H3
InChIKeyCUMYZTNOJHIYSI-UHFFFAOYSA-N
XLogP4.89
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azetidin-3-yl)-N-(3-chloro-2-fluoro-4-methylphenyl)-7-propylquinazolin-4-amine
CID 167487913
6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane
CID 155715967
6-(3-aminocyclobutyl)oxy-4-(3,4-dichloro-2-fluoroanilino)quinazolin-7-ol;hydrochloride
CID 167487622
6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]oxy]-N-(3-chloro-2,4-difluorophenyl)-7-methoxyquinazolin-4-amine
CID 174819906
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 167424492
6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine
CID 156505188
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenol;1,4-dimethylpiperazin-2-one
CID 142852522
7-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-chloro-2-fluoro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 118457220
7-[[(3aR,6aS)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-4-(4-bromo-3-chloro-2-fluoroanilino)quinazolin-6-ol
CID 70801324
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
N-(3,4-dichloro-2-fluorophenyl)-6-[(3S)-3-fluoropyrrolidin-3-yl]quinazolin-4-amine
CID 166539742
4-(3,4-dichloro-2-fluoroanilino)-6-[(3-methylazetidin-3-yl)methyl]pyrido[3,2-d]pyrimidin-7-ol
CID 156797223

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane?
The IUPAC name of 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane (CID 167487704) is 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane.
What is the SMILES notation for 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane?
The canonical SMILES for 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane is CC.Cc1ccc(Nc2ncnc3cc(O)c(C4CNC4)cc23)c(F)c1Cl.
What is the InChIKey of 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane?
The InChIKey is CUMYZTNOJHIYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O.C2H6/c1-9-2-3-13(17(20)16(9)19)24-18-12-4-11(10-6-21-7-10)15(25)5-14(12)22-8-23-18;1-2/h2-5,8,10,21,25H,6-7H2,1H3,(H,22,23,24);1-2H3.
What are the key properties of 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane?
6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane has a molecular weight of 388.87 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane is sourced from PubChem (CID 167487704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).