6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane

C21H26Cl2N4O2 — CID 155715967

IUPAC6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane
SMILESCC.CC.Oc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC1CNC1
InChIInChI=1S/C17H14Cl2N4O2.2C2H6/c18-9-1-2-13(12(19)3-9)23-17-11-4-16(25-10-6-20-7-10)15(24)5-14(11)21-8-22-17;2*1-2/h1-5,8,10,20,24H,6-7H2,(H,21,22,23);2*1-2H3
InChIKeySQPQTRSNKCWIQR-UHFFFAOYSA-N
MW437.37 g/mol
LogP5.79
Rot. Bonds4

About 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane

6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane (PubChem CID 155715967) has the molecular formula C21H26Cl2N4O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane
PubChem CID155715967
Molecular FormulaC21H26Cl2N4O2
Molecular Weight437.37 g/mol
Exact Mass436.14
IUPAC Name6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane
SMILESCC.CC.Oc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC1CNC1
InChIInChI=1S/C17H14Cl2N4O2.2C2H6/c18-9-1-2-13(12(19)3-9)23-17-11-4-16(25-10-6-20-7-10)15(24)5-14(11)21-8-22-17;2*1-2/h1-5,8,10,20,24H,6-7H2,(H,21,22,23);2*1-2H3
InChIKeySQPQTRSNKCWIQR-UHFFFAOYSA-N
XLogP5.79
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)oxy-4-(3,4-dichloro-2-fluoroanilino)quinazolin-7-ol;hydrochloride
CID 167487622
1-[4-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 155235870
6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4-dichlorophenyl)-7-methoxyquinazolin-4-amine
CID 157290356
7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol
CID 70795228
1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 155242989
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
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
1-[4-[4-(4-chloro-2-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 59404847
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-yl)-4-(3-chloro-2-fluoro-4-methylanilino)quinazolin-7-ol;ethane
CID 167487704
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 68750156

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane?
The IUPAC name of 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane (CID 155715967) is 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane.
What is the SMILES notation for 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane?
The canonical SMILES for 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane is CC.CC.Oc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC1CNC1.
What is the InChIKey of 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane?
The InChIKey is SQPQTRSNKCWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2.2C2H6/c18-9-1-2-13(12(19)3-9)23-17-11-4-16(25-10-6-20-7-10)15(24)5-14(11)21-8-22-17;2*1-2/h1-5,8,10,20,24H,6-7H2,(H,21,22,23);2*1-2H3.
What are the key properties of 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane?
6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane has a molecular weight of 437.37 g/mol, XLogP of 5.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-4-(2,4-dichloroanilino)quinazolin-7-ol;ethane is sourced from PubChem (CID 155715967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).