7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one

C19H14FN3O3 — CID 40743944

IUPAC7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
SMILESO=C1CCc2cc(C(=O)Cn3cnc4cc(F)ccc4c3=O)ccc2N1
InChIInChI=1S/C19H14FN3O3/c20-13-3-4-14-16(8-13)21-10-23(19(14)26)9-17(24)12-1-5-15-11(7-12)2-6-18(25)22-15/h1,3-5,7-8,10H,2,6,9H2,(H,22,25)
InChIKeyUPZAIZIBCFLTNY-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.30
Rot. Bonds3

About 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one

7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one (PubChem CID 40743944) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
PubChem CID40743944
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
SMILESO=C1CCc2cc(C(=O)Cn3cnc4cc(F)ccc4c3=O)ccc2N1
InChIInChI=1S/C19H14FN3O3/c20-13-3-4-14-16(8-13)21-10-23(19(14)26)9-17(24)12-1-5-15-11(7-12)2-6-18(25)22-15/h1,3-5,7-8,10H,2,6,9H2,(H,22,25)
InChIKeyUPZAIZIBCFLTNY-UHFFFAOYSA-N
XLogP2.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
3-(2-oxo-2-phenylethyl)-4(3H)-quinazolinone
CID 738365
6-benzyl-N-(2-fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 49862991
6-benzyl-N-(3-fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 49863035
N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 975079
N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4908980
N-[2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]ethyl]acetamide
CID 8369085
8-Fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 91758737
2-[(Dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 122525711
8-Fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
CID 122525712
2-Amino-6-({prop-2-ynyl-[4-(2,2,2-trifluoro-acetyl)-phenyl]-amino}-methyl)-3H-quinazolin-4-one
CID 135855761
6-[[(4-acetylphenyl)-2-propynylamino]methyl]-2-amino-4(3H)-quinazolinone
CID 135855765

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one (CID 40743944) is 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one is O=C1CCc2cc(C(=O)Cn3cnc4cc(F)ccc4c3=O)ccc2N1.
What is the InChIKey of 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one?
The InChIKey is UPZAIZIBCFLTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-13-3-4-14-16(8-13)21-10-23(19(14)26)9-17(24)12-1-5-15-11(7-12)2-6-18(25)22-15/h1,3-5,7-8,10H,2,6,9H2,(H,22,25).
What are the key properties of 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one?
7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one has a molecular weight of 351.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 40743944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).