1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde

C15H14FNO3 — CID 143437109

IUPAC1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde
SMILESCOc1c(C)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12
InChIInChI=1S/C15H14FNO3/c1-8-12(16)5-11-13(15(8)20-2)17(10-3-4-10)6-9(7-18)14(11)19/h5-7,10H,3-4H2,1-2H3
InChIKeyFWNXALCPGMBKBS-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.61
Rot. Bonds3

About 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde

1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde (PubChem CID 143437109) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde
PubChem CID143437109
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde
SMILESCOc1c(C)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12
InChIInChI=1S/C15H14FNO3/c1-8-12(16)5-11-13(15(8)20-2)17(10-3-4-10)6-9(7-18)14(11)19/h5-7,10H,3-4H2,1-2H3
InChIKeyFWNXALCPGMBKBS-UHFFFAOYSA-N
XLogP2.61
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde
CID 89425117
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
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
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
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
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
(4S,6S)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carbaldehyde
CID 87075202
7-(4-carboxy-3,5-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151154897
6,7-difluoro-1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carbaldehyde ditetrafluoroborate
CID 87353102

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde (CID 143437109) is 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde is COc1c(C)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde?
The InChIKey is FWNXALCPGMBKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-8-12(16)5-11-13(15(8)20-2)17(10-3-4-10)6-9(7-18)14(11)19/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde?
1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde has a molecular weight of 275.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 143437109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).