4-chloro-2-methyl-3-nitroquinoline

C10H7ClN2O2 — CID 12673397

IUPAC4-chloro-2-methyl-3-nitroquinoline
SMILESCc1nc2ccccc2c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN2O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5H,1H3
InChIKeySECDHFOURHYAKP-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.10
Rot. Bonds1

About 4-chloro-2-methyl-3-nitroquinoline

4-chloro-2-methyl-3-nitroquinoline (PubChem CID 12673397) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-chloro-2-methyl-3-nitroquinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-3-nitroquinoline
PubChem CID12673397
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name4-chloro-2-methyl-3-nitroquinoline
SMILESCc1nc2ccccc2c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN2O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5H,1H3
InChIKeySECDHFOURHYAKP-UHFFFAOYSA-N
XLogP3.10
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-3-nitroquinoline?
The IUPAC name of 4-chloro-2-methyl-3-nitroquinoline (CID 12673397) is 4-chloro-2-methyl-3-nitroquinoline.
What is the SMILES notation for 4-chloro-2-methyl-3-nitroquinoline?
The canonical SMILES for 4-chloro-2-methyl-3-nitroquinoline is Cc1nc2ccccc2c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-methyl-3-nitroquinoline?
The InChIKey is SECDHFOURHYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5H,1H3.
What are the key properties of 4-chloro-2-methyl-3-nitroquinoline?
4-chloro-2-methyl-3-nitroquinoline has a molecular weight of 222.63 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-3-nitroquinoline is sourced from PubChem (CID 12673397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).