1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one

C19H17FN4O — CID 19001467

IUPAC1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one
SMILESCc1cccc(Nc2ncnc3cc(F)c(N4CCCC4=O)cc23)c1
InChIInChI=1S/C19H17FN4O/c1-12-4-2-5-13(8-12)23-19-14-9-17(24-7-3-6-18(24)25)15(20)10-16(14)21-11-22-19/h2,4-5,8-11H,3,6-7H2,1H3,(H,21,22,23)
InChIKeyCNHRCQHTPSWNTC-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.95
Rot. Bonds3

About 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one

1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one (PubChem CID 19001467) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one
PubChem CID19001467
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one
SMILESCc1cccc(Nc2ncnc3cc(F)c(N4CCCC4=O)cc23)c1
InChIInChI=1S/C19H17FN4O/c1-12-4-2-5-13(8-12)23-19-14-9-17(24-7-3-6-18(24)25)15(20)10-16(14)21-11-22-19/h2,4-5,8-11H,3,6-7H2,1H3,(H,21,22,23)
InChIKeyCNHRCQHTPSWNTC-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
CID 141440637
N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
CID 19001462
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
1-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]pyrrolidin-2-one
CID 133425306
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
1,2-dimethyl-N-(3-methylphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 15838095
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
CID 70925053
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 143921739
4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
CID 57283012
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one (CID 19001467) is 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one is Cc1cccc(Nc2ncnc3cc(F)c(N4CCCC4=O)cc23)c1.
What is the InChIKey of 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one?
The InChIKey is CNHRCQHTPSWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-4-2-5-13(8-12)23-19-14-9-17(24-7-3-6-18(24)25)15(20)10-16(14)21-11-22-19/h2,4-5,8-11H,3,6-7H2,1H3,(H,21,22,23).
What are the key properties of 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one?
1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 19001467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).