N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide

C19H16ClN3O2 — CID 6487223

IUPACN-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide
SMILESO=C(Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-14-9-10-15-16(11-14)21-17(12-7-4-8-12)23(19(15)25)22-18(24)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,22,24)
InChIKeyZTASSFCHTLAUPD-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.70
Rot. Bonds3

About N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide

N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 6487223) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID6487223
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide
SMILESO=C(Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-14-9-10-15-16(11-14)21-17(12-7-4-8-12)23(19(15)25)22-18(24)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,22,24)
InChIKeyZTASSFCHTLAUPD-UHFFFAOYSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide (CID 6487223) is N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide is O=C(Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O)c1ccccc1.
What is the InChIKey of N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is ZTASSFCHTLAUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-9-10-15-16(11-14)21-17(12-7-4-8-12)23(19(15)25)22-18(24)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,22,24).
What are the key properties of N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide?
N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 353.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 6487223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).