methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate

C15H16ClNO4 — CID 75524036

IUPACmethyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate
SMILESCOCCCn1c(C(=O)OC)cc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H16ClNO4/c1-20-7-3-6-17-12-5-4-10(16)8-11(12)14(18)9-13(17)15(19)21-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXACSUKVPUPVIMF-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.48
Rot. Bonds5

About methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate

methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate (PubChem CID 75524036) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate
PubChem CID75524036
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Namemethyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate
SMILESCOCCCn1c(C(=O)OC)cc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H16ClNO4/c1-20-7-3-6-17-12-5-4-10(16)8-11(12)14(18)9-13(17)15(19)21-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXACSUKVPUPVIMF-UHFFFAOYSA-N
XLogP2.48
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
CID 166518412
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046805
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
methyl 4-bromo-5-chloro-1-(3-methoxy-3-oxopropyl)indole-2-carboxylate
CID 151537661
ethyl 4-(2-chlorophenyl)-6-(3-methoxypropyl)-1,3-dioxopyrrolo[3,4-e]indole-7-carboxylate;molecular hydrogen
CID 162182087
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-[4-(2-methoxyethoxymethoxy)phenoxy]indole-2-carboxylate
CID 146173905
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
CID 59494814
5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide
CID 71706250
4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid
CID 118697828

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate (CID 75524036) is methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate is COCCCn1c(C(=O)OC)cc(=O)c2cc(Cl)ccc21.
What is the InChIKey of methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate?
The InChIKey is XACSUKVPUPVIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-20-7-3-6-17-12-5-4-10(16)8-11(12)14(18)9-13(17)15(19)21-2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate?
methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate has a molecular weight of 309.75 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate is sourced from PubChem (CID 75524036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).