2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide

C19H16ClFN2O3 — CID 110299153

IUPAC2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-25-14-4-6-15(7-5-14)26-9-8-22-19(24)16-10-12-2-3-13(21)11-17(12)23-18(16)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyKOPADGFQSGANKQ-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.84
Rot. Bonds6

About 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide

2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide (PubChem CID 110299153) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
PubChem CID110299153
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-25-14-4-6-15(7-5-14)26-9-8-22-19(24)16-10-12-2-3-13(21)11-17(12)23-18(16)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyKOPADGFQSGANKQ-UHFFFAOYSA-N
XLogP3.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide (CID 110299153) is 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide is COc1ccc(OCCNC(=O)c2cc3ccc(F)cc3nc2Cl)cc1.
What is the InChIKey of 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide?
The InChIKey is KOPADGFQSGANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-25-14-4-6-15(7-5-14)26-9-8-22-19(24)16-10-12-2-3-13(21)11-17(12)23-18(16)20/h2-7,10-11H,8-9H2,1H3,(H,22,24).
What are the key properties of 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide?
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 110299153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).