2-chloro-6-nitro-4-propoxyquinoline

C12H11ClN2O3 — CID 155587986

IUPAC2-chloro-6-nitro-4-propoxyquinoline
SMILESCCCOc1cc(Cl)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H11ClN2O3/c1-2-5-18-11-7-12(13)14-10-4-3-8(15(16)17)6-9(10)11/h3-4,6-7H,2,5H2,1H3
InChIKeyKRURUWNMFZKNTK-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-6-nitro-4-propoxyquinoline

2-chloro-6-nitro-4-propoxyquinoline (PubChem CID 155587986) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-chloro-6-nitro-4-propoxyquinoline.

Molecular Properties

Compound Name2-chloro-6-nitro-4-propoxyquinoline
PubChem CID155587986
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-chloro-6-nitro-4-propoxyquinoline
SMILESCCCOc1cc(Cl)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H11ClN2O3/c1-2-5-18-11-7-12(13)14-10-4-3-8(15(16)17)6-9(10)11/h3-4,6-7H,2,5H2,1H3
InChIKeyKRURUWNMFZKNTK-UHFFFAOYSA-N
XLogP3.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-chloro-6-nitro-N-(2-propoxyethyl)quinazolin-4-amine
CID 18326535
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
1-chloro-2-methoxy-5-nitro-3-propoxybenzene
CID 125116278
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
2-(bromomethyl)-4-nitro-1-propoxybenzene
CID 43473042
2-(chloromethyl)-4-methyl-6-nitroquinoline
CID 139719779
3-ethoxy-5-nitro-2-propoxybenzoic acid
CID 100583944
5-nitro-3-propoxy-1H-indazole
CID 76846129
2,4-dichloro-6-nitroquinazoline
CID 12703366
4-ethoxy-6-nitro-2-[(Z)-1-[(Z)-prop-1-enyl]sulfanylprop-1-enyl]quinoline
CID 171536462
2-(chloromethyl)-6-nitro-3H-quinazolin-4-one
CID 135932529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-4-propoxyquinoline?
The IUPAC name of 2-chloro-6-nitro-4-propoxyquinoline (CID 155587986) is 2-chloro-6-nitro-4-propoxyquinoline.
What is the SMILES notation for 2-chloro-6-nitro-4-propoxyquinoline?
The canonical SMILES for 2-chloro-6-nitro-4-propoxyquinoline is CCCOc1cc(Cl)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-chloro-6-nitro-4-propoxyquinoline?
The InChIKey is KRURUWNMFZKNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-2-5-18-11-7-12(13)14-10-4-3-8(15(16)17)6-9(10)11/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-chloro-6-nitro-4-propoxyquinoline?
2-chloro-6-nitro-4-propoxyquinoline has a molecular weight of 266.68 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-4-propoxyquinoline is sourced from PubChem (CID 155587986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).