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

C14H12F2N2O3 — CID 24952472

IUPAC1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
SMILESCOc1c(F)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12
InChIInChI=1S/C14H12F2N2O3/c1-21-13-10(16)9(15)4-7-11(13)18(6-2-3-6)5-8(12(7)19)14(17)20/h4-6H,2-3H2,1H3,(H2,17,20)
InChIKeyYVXVRZSCZMFMPM-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.72
Rot. Bonds3

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

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 24952472) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID24952472
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
SMILESCOc1c(F)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12
InChIInChI=1S/C14H12F2N2O3/c1-21-13-10(16)9(15)4-7-11(13)18(6-2-3-6)5-8(12(7)19)14(17)20/h4-6H,2-3H2,1H3,(H2,17,20)
InChIKeyYVXVRZSCZMFMPM-UHFFFAOYSA-N
XLogP1.72
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-carbaldehyde
CID 89425117
1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 41129514
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
1-cyclopropyl-6,7-difluoro-8-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinoline-3-carboxamide
CID 167956724
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
3-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-1-cyclopropyl-6,7-difluoro-8-methoxyquinolin-4-one
CID 167933126
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69019025
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
CID 6918202
7-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67800647

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide (CID 24952472) is 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide is COc1c(F)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is YVXVRZSCZMFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-21-13-10(16)9(15)4-7-11(13)18(6-2-3-6)5-8(12(7)19)14(17)20/h4-6H,2-3H2,1H3,(H2,17,20).
What are the key properties of 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide?
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 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-carboxamide is sourced from PubChem (CID 24952472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).