1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde

C14H11F2NO3 — CID 89425117

IUPAC1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde
SMILESCOc1c(F)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12
InChIInChI=1S/C14H11F2NO3/c1-20-14-11(16)10(15)4-9-12(14)17(8-2-3-8)5-7(6-18)13(9)19/h4-6,8H,2-3H2,1H3
InChIKeyKQYUTJXYJTWBGJ-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.44
Rot. Bonds3

About 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde (PubChem CID 89425117) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde
PubChem CID89425117
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde
SMILESCOc1c(F)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12
InChIInChI=1S/C14H11F2NO3/c1-20-14-11(16)10(15)4-9-12(14)17(8-2-3-8)5-7(6-18)13(9)19/h4-6,8H,2-3H2,1H3
InChIKeyKQYUTJXYJTWBGJ-UHFFFAOYSA-N
XLogP2.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde
CID 143437109
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
6,7-difluoro-1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carbaldehyde ditetrafluoroborate
CID 87353102
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-1-cyclopropyl-6-fluoro-3-[(E)-hydroxyiminomethyl]-8-methoxyquinolin-4-one
CID 172981703
7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde
CID 88965440
1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 41129514
12-cyclopropyl-18-fluoro-8-methyl-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carbaldehyde
CID 88587280
1-cyclopropyl-6,7-difluoro-8-methoxy-3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]quinolin-4-one
CID 52947336
1-cyclopropyl-6,7-difluoro-8-methoxy-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)quinolin-4-one
CID 52945323
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carbaldehyde
CID 54387388
7-(3-aminopyrrolidin-1-yl)-1,8-dicyclopropyl-6-fluoro-4-oxoquinoline-3-carbaldehyde
CID 19786464

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde (CID 89425117) is 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde is COc1c(F)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde?
The InChIKey is KQYUTJXYJTWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-20-14-11(16)10(15)4-9-12(14)17(8-2-3-8)5-7(6-18)13(9)19/h4-6,8H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde?
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde has a molecular weight of 279.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 89425117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).