1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate

C15H15F2N2O4- — CID 6950069

IUPAC1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC[C@H](C)O)c(F)c21
InChIInChI=1S/C15H16F2N2O4/c1-3-19-6-9(15(22)23)14(21)8-4-10(16)12(11(17)13(8)19)18-5-7(2)20/h4,6-7,18,20H,3,5H2,1-2H3,(H,22,23)/p-1/t7-/m0/s1
InChIKeyUIHLPZSYVZGVQB-ZETCQYMHSA-M
MW325.29 g/mol
LogP0.46
Rot. Bonds5

About 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate

1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate (PubChem CID 6950069) has the molecular formula C15H15F2N2O4- and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate
PubChem CID6950069
Molecular FormulaC15H15F2N2O4-
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC[C@H](C)O)c(F)c21
InChIInChI=1S/C15H16F2N2O4/c1-3-19-6-9(15(22)23)14(21)8-4-10(16)12(11(17)13(8)19)18-5-7(2)20/h4,6-7,18,20H,3,5H2,1-2H3,(H,22,23)/p-1/t7-/m0/s1
InChIKeyUIHLPZSYVZGVQB-ZETCQYMHSA-M
XLogP0.46
TPSA94.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate 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-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 66650297
7-[(4-aminopiperazin-1-yl)amino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 142634236
1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
CID 90373252
7-[(9,10-dioxoanthracen-2-yl)amino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 163696385
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide
CID 56873052
1-ethyl-6,8-difluoro-7-(nitromethyl)-4-oxoquinoline-3-carboxylic acid
CID 102466718
(1-ethyl-6,7,8-trifluoro-4-oxoquinolin-3-yl) propanoate
CID 175393794
7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14328924
difluoroboranyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 57131028
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid
CID 23117845

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate?
The IUPAC name of 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate (CID 6950069) is 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate is CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC[C@H](C)O)c(F)c21.
What is the InChIKey of 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate?
The InChIKey is UIHLPZSYVZGVQB-ZETCQYMHSA-M. The full InChI is InChI=1S/C15H16F2N2O4/c1-3-19-6-9(15(22)23)14(21)8-4-10(16)12(11(17)13(8)19)18-5-7(2)20/h4,6-7,18,20H,3,5H2,1-2H3,(H,22,23)/p-1/t7-/m0/s1.
What are the key properties of 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate?
1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate has a molecular weight of 325.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 6950069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).