4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline

C14H14ClFN2O3 — CID 103996648

IUPAC4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
SMILESCOc1cc2c(Cl)c([N+](=O)[O-])c(CC(C)C)nc2cc1F
InChIInChI=1S/C14H14ClFN2O3/c1-7(2)4-11-14(18(19)20)13(15)8-5-12(21-3)9(16)6-10(8)17-11/h5-7H,4H2,1-3H3
InChIKeyBBCXGNFFHWIOON-UHFFFAOYSA-N
MW312.73 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline

4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline (PubChem CID 103996648) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
PubChem CID103996648
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC Name4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
SMILESCOc1cc2c(Cl)c([N+](=O)[O-])c(CC(C)C)nc2cc1F
InChIInChI=1S/C14H14ClFN2O3/c1-7(2)4-11-14(18(19)20)13(15)8-5-12(21-3)9(16)6-10(8)17-11/h5-7H,4H2,1-3H3
InChIKeyBBCXGNFFHWIOON-UHFFFAOYSA-N
XLogP4.14
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 54.14
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

2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
CID 87401887
7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
CID 103996775
2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
CID 22097048
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
1-(2-chloropentan-3-yl)-4-fluoro-5-methoxy-2-nitrobenzene
CID 63599420
2-chloro-6-methoxy-4-methyl-3-nitropyridine
CID 146235051
7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 113363415
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417
(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate
CID 10684426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline?
The IUPAC name of 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline (CID 103996648) is 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline.
What is the SMILES notation for 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline?
The canonical SMILES for 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline is COc1cc2c(Cl)c([N+](=O)[O-])c(CC(C)C)nc2cc1F.
What is the InChIKey of 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline?
The InChIKey is BBCXGNFFHWIOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c1-7(2)4-11-14(18(19)20)13(15)8-5-12(21-3)9(16)6-10(8)17-11/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline?
4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline has a molecular weight of 312.73 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline is sourced from PubChem (CID 103996648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).