4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol

C18H16ClN3O2 — CID 11439274

IUPAC4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
SMILESC=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C18H16ClN3O2/c1-3-4-13-16-14(9-15(24-2)17(13)23)20-10-21-18(16)22-12-7-5-11(19)6-8-12/h3,5-10,23H,1,4H2,2H3,(H,20,21,22)
InChIKeyVIUNQRHOZQDOLR-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.47
Rot. Bonds5

About 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol

4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol (PubChem CID 11439274) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol.

Molecular Properties

Compound Name4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
PubChem CID11439274
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
SMILESC=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C18H16ClN3O2/c1-3-4-13-16-14(9-15(24-2)17(13)23)20-10-21-18(16)22-12-7-5-11(19)6-8-12/h3,5-10,23H,1,4H2,2H3,(H,20,21,22)
InChIKeyVIUNQRHOZQDOLR-UHFFFAOYSA-N
XLogP4.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
CID 11462529
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol
CID 91228054
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
N-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]prop-2-enamide
CID 53354143
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
7-(2-chloroethoxy)-N-[4-(ethylsulfanylmethyl)phenyl]-6-methoxyquinazolin-4-amine
CID 163762319
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-chlorophenyl)pyrimido[5,4-d]pyrimidin-4-amine
CID 139885477

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The IUPAC name of 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol (CID 11439274) is 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol.
What is the SMILES notation for 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The canonical SMILES for 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol is C=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(Cl)cc3)c12.
What is the InChIKey of 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The InChIKey is VIUNQRHOZQDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-3-4-13-16-14(9-15(24-2)17(13)23)20-10-21-18(16)22-12-7-5-11(19)6-8-12/h3,5-10,23H,1,4H2,2H3,(H,20,21,22).
What are the key properties of 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol has a molecular weight of 341.80 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol is sourced from PubChem (CID 11439274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).