N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide

C19H15F2N3O2 — CID 70838704

IUPACN-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nn1c(C2CC2)nc2cc(F)ccc2c1=O
InChIInChI=1S/C19H15F2N3O2/c20-13-5-1-11(2-6-13)9-17(25)23-24-18(12-3-4-12)22-16-10-14(21)7-8-15(16)19(24)26/h1-2,5-8,10,12H,3-4,9H2,(H,23,25)
InChIKeyQVQACHQOSXTOLH-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.86
Rot. Bonds4

About N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide

N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 70838704) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide
PubChem CID70838704
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nn1c(C2CC2)nc2cc(F)ccc2c1=O
InChIInChI=1S/C19H15F2N3O2/c20-13-5-1-11(2-6-13)9-17(25)23-24-18(12-3-4-12)22-16-10-14(21)7-8-15(16)19(24)26/h1-2,5-8,10,12H,3-4,9H2,(H,23,25)
InChIKeyQVQACHQOSXTOLH-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2-phenyl-4(3H)-quinazolinone
CID 722876
3-Amino-2-(p-tolyl)quinazolin-4(3H)-one
CID 854350
Glycosminine
CID 135426527
2-[4-(Trifluoromethyl)phenyl]-3h-Quinazolin-4-One
CID 135566970
3-Amino-2-benzyl-3,4-dihydroquinazolin-4-one
CID 561230
3-Amino-2-(m-tolyl)quinazolin-4(3H)-one
CID 777429
2-((E)-2-o-Tolyl-vinyl)-3H-quinazolin-4-one
CID 135580294
3-amino-2-methylquinazolin-4(3H)-one
CID 237591
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
3-[(E)-(2-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5341469
3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one
CID 4052011
2-fluoro-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 4350511

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide (CID 70838704) is N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nn1c(C2CC2)nc2cc(F)ccc2c1=O.
What is the InChIKey of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is QVQACHQOSXTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-13-5-1-11(2-6-13)9-17(25)23-24-18(12-3-4-12)22-16-10-14(21)7-8-15(16)19(24)26/h1-2,5-8,10,12H,3-4,9H2,(H,23,25).
What are the key properties of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide?
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 355.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 70838704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).