2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one

C14H8IN3O3 — CID 168552944

IUPAC2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2I)nc2ccccc12
InChIInChI=1S/C14H8IN3O3/c15-12-9(5-3-7-11(12)18(20)21)13-16-10-6-2-1-4-8(10)14(19)17-13/h1-7H,(H,16,17,19)
InChIKeyRHPYXDDRSBIPNC-UHFFFAOYSA-N
MW393.14 g/mol
LogP3.10
Rot. Bonds2

About 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one

2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one (PubChem CID 168552944) has the molecular formula C14H8IN3O3 and a molecular weight of 393.14 g/mol. Its IUPAC name is 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one
PubChem CID168552944
Molecular FormulaC14H8IN3O3
Molecular Weight393.14 g/mol
Exact Mass392.96
IUPAC Name2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2I)nc2ccccc12
InChIInChI=1S/C14H8IN3O3/c15-12-9(5-3-7-11(12)18(20)21)13-16-10-6-2-1-4-8(10)14(19)17-13/h1-7H,(H,16,17,19)
InChIKeyRHPYXDDRSBIPNC-UHFFFAOYSA-N
XLogP3.10
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(4-methylsulfonyl-2-nitrophenyl)-3H-quinazolin-4-one
CID 168553037
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one
CID 168553326
4-nitro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 136739934
2-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-3H-quinazolin-4-one
CID 137048184
2-(2-ethoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 139685445
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
2-(3-fluoro-4-methoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 168552902
2-(4-nitro-2-pyrrolidin-1-ylphenyl)-3H-quinazolin-4-one
CID 168514605
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one (CID 168552944) is 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc([N+](=O)[O-])c2I)nc2ccccc12.
What is the InChIKey of 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one?
The InChIKey is RHPYXDDRSBIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8IN3O3/c15-12-9(5-3-7-11(12)18(20)21)13-16-10-6-2-1-4-8(10)14(19)17-13/h1-7H,(H,16,17,19).
What are the key properties of 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one?
2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one has a molecular weight of 393.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).