N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide

C10H8ClN3O2 — CID 133057640

IUPACN-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide
SMILESCC(=O)Nc1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClN3O2/c1-5(15)12-9-7-3-2-6(11)4-8(7)13-10(16)14-9/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyKRCUASLXGFHXPK-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.53
Rot. Bonds1

About N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide

N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide (PubChem CID 133057640) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide
PubChem CID133057640
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC NameN-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide
SMILESCC(=O)Nc1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClN3O2/c1-5(15)12-9-7-3-2-6(11)4-8(7)13-10(16)14-9/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyKRCUASLXGFHXPK-UHFFFAOYSA-N
XLogP1.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide?
The IUPAC name of N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide (CID 133057640) is N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide.
What is the SMILES notation for N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide?
The canonical SMILES for N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide is CC(=O)Nc1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide?
The InChIKey is KRCUASLXGFHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-5(15)12-9-7-3-2-6(11)4-8(7)13-10(16)14-9/h2-4H,1H3,(H2,12,13,14,15,16).
What are the key properties of N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide?
N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide has a molecular weight of 237.65 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-oxo-1H-quinazolin-4-yl)acetamide is sourced from PubChem (CID 133057640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).