4-chloro-7-nitro-2-propylquinazoline

C11H10ClN3O2 — CID 106584339

IUPAC4-chloro-7-nitro-2-propylquinazoline
SMILESCCCc1nc(Cl)c2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C11H10ClN3O2/c1-2-3-10-13-9-6-7(15(16)17)4-5-8(9)11(12)14-10/h4-6H,2-3H2,1H3
InChIKeySMEAHCWELYKGTB-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.14
Rot. Bonds3

About 4-chloro-7-nitro-2-propylquinazoline

4-chloro-7-nitro-2-propylquinazoline (PubChem CID 106584339) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-7-nitro-2-propylquinazoline.

Molecular Properties

Compound Name4-chloro-7-nitro-2-propylquinazoline
PubChem CID106584339
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-chloro-7-nitro-2-propylquinazoline
SMILESCCCc1nc(Cl)c2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C11H10ClN3O2/c1-2-3-10-13-9-6-7(15(16)17)4-5-8(9)11(12)14-10/h4-6H,2-3H2,1H3
InChIKeySMEAHCWELYKGTB-UHFFFAOYSA-N
XLogP3.14
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-7-nitroquinazoline
CID 12703362
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498
4-chloro-2-(3-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589452
4-chloro-2-(4-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589444
2,4-dichloro-6-nitroquinazoline
CID 12703366
2-butyl-6-nitroquinazoline
CID 101015505
4-nitro-2-propylaniline
CID 21492038
4-ethoxy-2-methylsulfanyl-7-nitroquinazoline
CID 139217051
1,4-dichloro-6-nitrophthalazine
CID 10800302
4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline
CID 124927414
3,6-dinitroacridine-9-carbonitrile
CID 118429042
2,4-diethyl-6-nitro-3-propylquinoline
CID 125452460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-nitro-2-propylquinazoline?
The IUPAC name of 4-chloro-7-nitro-2-propylquinazoline (CID 106584339) is 4-chloro-7-nitro-2-propylquinazoline.
What is the SMILES notation for 4-chloro-7-nitro-2-propylquinazoline?
The canonical SMILES for 4-chloro-7-nitro-2-propylquinazoline is CCCc1nc(Cl)c2ccc([N+](=O)[O-])cc2n1.
What is the InChIKey of 4-chloro-7-nitro-2-propylquinazoline?
The InChIKey is SMEAHCWELYKGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-2-3-10-13-9-6-7(15(16)17)4-5-8(9)11(12)14-10/h4-6H,2-3H2,1H3.
What are the key properties of 4-chloro-7-nitro-2-propylquinazoline?
4-chloro-7-nitro-2-propylquinazoline has a molecular weight of 251.67 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-nitro-2-propylquinazoline is sourced from PubChem (CID 106584339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).