4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol

C18H15ClFN3O2 — CID 11462529

IUPAC4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
SMILESC=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C18H15ClFN3O2/c1-3-4-11-16-14(8-15(25-2)17(11)24)21-9-22-18(16)23-10-5-6-13(20)12(19)7-10/h3,5-9,24H,1,4H2,2H3,(H,21,22,23)
InChIKeyMVUKAJQBKPQAGG-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.61
Rot. Bonds5

About 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol

4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol (PubChem CID 11462529) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
PubChem CID11462529
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
SMILESC=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C18H15ClFN3O2/c1-3-4-11-16-14(8-15(25-2)17(11)24)21-9-22-18(16)23-10-5-6-13(20)12(19)7-10/h3,5-9,24H,1,4H2,2H3,(H,21,22,23)
InChIKeyMVUKAJQBKPQAGG-UHFFFAOYSA-N
XLogP4.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.61
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-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
CID 11439274
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-chloro-4-fluorophenyl)-6-[2-(dimethylamino)ethyl]-7-methoxyquinazolin-4-amine
CID 54366101
(E)-1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]hex-3-en-2-one
CID 157375772
6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfanyl-N-hydroxyhexanamide
CID 24944764
3-bromo-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]propanamide
CID 141238309
4-amino-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 141288413
9-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N-hydroxy-8-oxononanamide
CID 58172578

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol (CID 11462529) is 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol is C=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(F)c(Cl)c3)c12.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The InChIKey is MVUKAJQBKPQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-3-4-11-16-14(8-15(25-2)17(11)24)21-9-22-18(16)23-10-5-6-13(20)12(19)7-10/h3,5-9,24H,1,4H2,2H3,(H,21,22,23).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol has a molecular weight of 359.79 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol is sourced from PubChem (CID 11462529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).