1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one

C18H15FN4O — CID 133425306

IUPAC1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Nc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C18H15FN4O/c19-12-3-8-16-15(10-12)18(21-11-20-16)22-13-4-6-14(7-5-13)23-9-1-2-17(23)24/h3-8,10-11H,1-2,9H2,(H,20,21,22)
InChIKeyYFBBEWJVYHLMIX-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.64
Rot. Bonds3

About 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one

1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one (PubChem CID 133425306) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one
PubChem CID133425306
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Nc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C18H15FN4O/c19-12-3-8-16-15(10-12)18(21-11-20-16)22-13-4-6-14(7-5-13)23-9-1-2-17(23)24/h3-8,10-11H,1-2,9H2,(H,20,21,22)
InChIKeyYFBBEWJVYHLMIX-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one
CID 19001467
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
CID 141440637
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679220
N-(1,2-dimethylbenzimidazol-5-yl)-6-fluoroquinazolin-4-amine
CID 133428185
1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one
CID 138006600
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
methyl 3-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]-2-methylpropanoate
CID 133466647
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
CID 46879811
4-[(6-iodoquinazolin-4-yl)amino]benzoic acid
CID 7137666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one (CID 133425306) is 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(Nc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one?
The InChIKey is YFBBEWJVYHLMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-12-3-8-16-15(10-12)18(21-11-20-16)22-13-4-6-14(7-5-13)23-9-1-2-17(23)24/h3-8,10-11H,1-2,9H2,(H,20,21,22).
What are the key properties of 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one?
1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one has a molecular weight of 322.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 133425306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).