8-(3-chloropentan-2-yl)-5-nitroquinoline

C14H15ClN2O2 — CID 63562340

IUPAC8-(3-chloropentan-2-yl)-5-nitroquinoline
SMILESCCC(Cl)C(C)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15ClN2O2/c1-3-12(15)9(2)10-6-7-13(17(18)19)11-5-4-8-16-14(10)11/h4-9,12H,3H2,1-2H3
InChIKeyOROQCBVEZYAKMA-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.26
Rot. Bonds4

About 8-(3-chloropentan-2-yl)-5-nitroquinoline

8-(3-chloropentan-2-yl)-5-nitroquinoline (PubChem CID 63562340) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 8-(3-chloropentan-2-yl)-5-nitroquinoline.

Molecular Properties

Compound Name8-(3-chloropentan-2-yl)-5-nitroquinoline
PubChem CID63562340
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name8-(3-chloropentan-2-yl)-5-nitroquinoline
SMILESCCC(Cl)C(C)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15ClN2O2/c1-3-12(15)9(2)10-6-7-13(17(18)19)11-5-4-8-16-14(10)11/h4-9,12H,3H2,1-2H3
InChIKeyOROQCBVEZYAKMA-UHFFFAOYSA-N
XLogP4.26
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

8-(3-bromopentan-2-yl)-5-nitroquinoline
CID 63559687
N-methyl-2-(8-nitroquinolin-5-yl)pentan-3-amine
CID 63561738
5-(2-chlorobutyl)-8-nitroquinoline
CID 63202545
1-(5-nitroquinolin-8-yl)-3-sulfanylpropane-1,2-diol
CID 170820854
8-(2-chloro-3,3-dimethylbutyl)-5-nitroquinoline
CID 63202485
3-(8-nitroquinolin-5-yl)-N-propylbutan-2-amine
CID 63199376
N,N-diethyl-5-nitroquinolin-8-amine
CID 2843950
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
CID 63199554
1-(5-nitroquinolin-8-yl)-4-sulfanylbutane-1,2-diol
CID 171875070
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloropentan-2-yl)-5-nitroquinoline?
The IUPAC name of 8-(3-chloropentan-2-yl)-5-nitroquinoline (CID 63562340) is 8-(3-chloropentan-2-yl)-5-nitroquinoline.
What is the SMILES notation for 8-(3-chloropentan-2-yl)-5-nitroquinoline?
The canonical SMILES for 8-(3-chloropentan-2-yl)-5-nitroquinoline is CCC(Cl)C(C)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 8-(3-chloropentan-2-yl)-5-nitroquinoline?
The InChIKey is OROQCBVEZYAKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-12(15)9(2)10-6-7-13(17(18)19)11-5-4-8-16-14(10)11/h4-9,12H,3H2,1-2H3.
What are the key properties of 8-(3-chloropentan-2-yl)-5-nitroquinoline?
8-(3-chloropentan-2-yl)-5-nitroquinoline has a molecular weight of 278.74 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloropentan-2-yl)-5-nitroquinoline is sourced from PubChem (CID 63562340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).