2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol

C24H23FN4O3 — CID 168968495

IUPAC2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccc(F)c4)cc3C(C)(C)O)c2cc1N
InChIInChI=1S/C24H23FN4O3/c1-24(2,30)18-10-16(32-15-6-4-5-14(25)9-15)7-8-20(18)29-23-17-11-19(26)22(31-3)12-21(17)27-13-28-23/h4-13,30H,26H2,1-3H3,(H,27,28,29)
InChIKeyPWTQLVQJXWQCQH-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.12
Rot. Bonds6

About 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol

2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol (PubChem CID 168968495) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol
PubChem CID168968495
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccc(F)c4)cc3C(C)(C)O)c2cc1N
InChIInChI=1S/C24H23FN4O3/c1-24(2,30)18-10-16(32-15-6-4-5-14(25)9-15)7-8-20(18)29-23-17-11-19(26)22(31-3)12-21(17)27-13-28-23/h4-13,30H,26H2,1-3H3,(H,27,28,29)
InChIKeyPWTQLVQJXWQCQH-UHFFFAOYSA-N
XLogP5.12
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-4-chloro-5-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]propan-2-ol
CID 168968409
(E)-4-(dimethylamino)-N-[4-[2-(2-hydroxypropan-2-yl)-4-[3-(trifluoromethyl)phenoxy]anilino]-7-methoxyquinazolin-6-yl]but-2-enamide
CID 168968381
4-(dimethylamino)-N-[4-[2-(2-hydroxypropan-2-yl)-4-[3-(trifluoromethyl)phenoxy]anilino]-7-methoxyquinazolin-6-yl]but-2-enamide
CID 175911406
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
1-[4-[4-[4-(3-chloro-5-fluorophenoxy)-2-(2-hydroxypropan-2-yl)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 168968356
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
CID 127255387
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-[3-(3-fluorophenoxy)phenyl]-6,7-dimethylquinazolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 159044893
4-[4-[5-chloro-2-(2-hydroxypropan-2-yl)-4-[3-(trifluoromethyl)phenoxy]anilino]-7-methoxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 174050783

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol?
The IUPAC name of 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol (CID 168968495) is 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol is COc1cc2ncnc(Nc3ccc(Oc4cccc(F)c4)cc3C(C)(C)O)c2cc1N.
What is the InChIKey of 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol?
The InChIKey is PWTQLVQJXWQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-24(2,30)18-10-16(32-15-6-4-5-14(25)9-15)7-8-20(18)29-23-17-11-19(26)22(31-3)12-21(17)27-13-28-23/h4-13,30H,26H2,1-3H3,(H,27,28,29).
What are the key properties of 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol?
2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol has a molecular weight of 434.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol is sourced from PubChem (CID 168968495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).