1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid

C19H21FN2O4 — CID 139671277

IUPAC1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid
SMILESCNC1(c2c(F)c(OC)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC1
InChIInChI=1S/C19H21FN2O4/c1-9-13(19(21-2)6-7-19)14(20)17(26-3)12-15(9)22(10-4-5-10)8-11(16(12)23)18(24)25/h8,10,21H,4-7H2,1-3H3,(H,24,25)
InChIKeyAMJJMSZWAUQCKH-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 139671277) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID139671277
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid
SMILESCNC1(c2c(F)c(OC)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC1
InChIInChI=1S/C19H21FN2O4/c1-9-13(19(21-2)6-7-19)14(20)17(26-3)12-15(9)22(10-4-5-10)8-11(16(12)23)18(24)25/h8,10,21H,4-7H2,1-3H3,(H,24,25)
InChIKeyAMJJMSZWAUQCKH-UHFFFAOYSA-N
XLogP2.70
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-5-methoxy-4-oxoquinoline-3-carboxylic acid
CID 21293068
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139671294
1-cyclopropyl-7-[(7S)-7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139640945
7-(1-carboxycyclohexyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 19072269
5-amino-7-(1-aminocyclopropyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10042562
5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 3025927
5-amino-1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10180361
1-cyclopropyl-7-[3,3-dimethyl-4-(methylamino)pyrrolidin-1-yl]-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139636866
7-[(3Z)-3-(2-aminoethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 143995822
1-cyclopropyl-6-fluoro-8-methoxy-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-4-oxoquinoline-3-carboxylic acid
CID 19072250
1-cyclopropyl-6,7-difluoro-5-methyl-8-nitro-4-oxoquinoline-3-carboxylic acid
CID 23364523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid (CID 139671277) is 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid is CNC1(c2c(F)c(OC)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is AMJJMSZWAUQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-9-13(19(21-2)6-7-19)14(20)17(26-3)12-15(9)22(10-4-5-10)8-11(16(12)23)18(24)25/h8,10,21H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 360.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139671277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).