2-amino-5-chloro-4aH-quinazolin-4-one

C8H6ClN3O — CID 73186122

IUPAC2-amino-5-chloro-4aH-quinazolin-4-one
SMILESNC1=NC(=O)C2C(Cl)=CC=CC2=N1
InChIInChI=1S/C8H6ClN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3,6H,(H2,10,12,13)
InChIKeyPFTOYTFOHUJEHH-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.59
Rot. Bonds

About 2-amino-5-chloro-4aH-quinazolin-4-one

2-amino-5-chloro-4aH-quinazolin-4-one (PubChem CID 73186122) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-amino-5-chloro-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-5-chloro-4aH-quinazolin-4-one
PubChem CID73186122
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-amino-5-chloro-4aH-quinazolin-4-one
SMILESNC1=NC(=O)C2C(Cl)=CC=CC2=N1
InChIInChI=1S/C8H6ClN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3,6H,(H2,10,12,13)
InChIKeyPFTOYTFOHUJEHH-UHFFFAOYSA-N
XLogP0.59
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-4-chloro-4aH-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 91342896
4-bromo-4aH-quinolin-2-one
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2-(furan-2-yl)-4-oxo-4aH-quinazoline-5-carboxylic acid
CID 73187726
3-chloro-7aH-2-benzofuran-1-one
CID 141049124
4-chloro-8aH-naphthalen-1-one
CID 91543564
2-ethoxy-4aH-quinazolin-4-one
CID 78203567
2-chloro-3-methyl-1,8a-dihydroquinoxaline
CID 163808025
CID 72824698
CID 72824698
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4aH-quinazolin-4-one?
The IUPAC name of 2-amino-5-chloro-4aH-quinazolin-4-one (CID 73186122) is 2-amino-5-chloro-4aH-quinazolin-4-one.
What is the SMILES notation for 2-amino-5-chloro-4aH-quinazolin-4-one?
The canonical SMILES for 2-amino-5-chloro-4aH-quinazolin-4-one is NC1=NC(=O)C2C(Cl)=CC=CC2=N1.
What is the InChIKey of 2-amino-5-chloro-4aH-quinazolin-4-one?
The InChIKey is PFTOYTFOHUJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3,6H,(H2,10,12,13).
What are the key properties of 2-amino-5-chloro-4aH-quinazolin-4-one?
2-amino-5-chloro-4aH-quinazolin-4-one has a molecular weight of 195.61 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4aH-quinazolin-4-one is sourced from PubChem (CID 73186122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).