N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide

C19H14F3N3O2 — CID 71197546

IUPACN-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(C2CC2)nc2cc(F)ccc2c1=O
InChIInChI=1S/C19H14F3N3O2/c20-12-3-4-15-16(9-12)23-18(11-1-2-11)25(19(15)27)24-17(26)7-10-5-13(21)8-14(22)6-10/h3-6,8-9,11H,1-2,7H2,(H,24,26)
InChIKeyYTJBCURHYSWEQI-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.00
Rot. Bonds4

About N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide

N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide (PubChem CID 71197546) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
PubChem CID71197546
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1c(C2CC2)nc2cc(F)ccc2c1=O
InChIInChI=1S/C19H14F3N3O2/c20-12-3-4-15-16(9-12)23-18(11-1-2-11)25(19(15)27)24-17(26)7-10-5-13(21)8-14(22)6-10/h3-6,8-9,11H,1-2,7H2,(H,24,26)
InChIKeyYTJBCURHYSWEQI-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide (CID 71197546) is N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nn1c(C2CC2)nc2cc(F)ccc2c1=O.
What is the InChIKey of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is YTJBCURHYSWEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-12-3-4-15-16(9-12)23-18(11-1-2-11)25(19(15)27)24-17(26)7-10-5-13(21)8-14(22)6-10/h3-6,8-9,11H,1-2,7H2,(H,24,26).
What are the key properties of N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide?
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 373.33 g/mol, XLogP of 3.00, 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-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 71197546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).