ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate

C25H28FN3O4 — CID 68992642

IUPACethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c(OC)c(-c3cc4n(c3)C[C@H](C)N(C)C4)c(F)cc2c1=O
InChIInChI=1S/C25H28FN3O4/c1-5-33-25(31)19-13-29(16-6-7-16)22-18(23(19)30)9-20(26)21(24(22)32-4)15-8-17-12-27(3)14(2)10-28(17)11-15/h8-9,11,13-14,16H,5-7,10,12H2,1-4H3/t14-/m0/s1
InChIKeyUXNKKWHIWHQVJP-AWEZNQCLSA-N
MW453.51 g/mol
LogP3.96
Rot. Bonds5

About ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate

ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 68992642) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
PubChem CID68992642
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Nameethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c(OC)c(-c3cc4n(c3)C[C@H](C)N(C)C4)c(F)cc2c1=O
InChIInChI=1S/C25H28FN3O4/c1-5-33-25(31)19-13-29(16-6-7-16)22-18(23(19)30)9-20(26)21(24(22)32-4)15-8-17-12-27(3)14(2)10-28(17)11-15/h8-9,11,13-14,16H,5-7,10,12H2,1-4H3/t14-/m0/s1
InChIKeyUXNKKWHIWHQVJP-AWEZNQCLSA-N
XLogP3.96
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-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

ethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate
CID 15870843
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
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
ethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(2-methoxy-2-oxo-1,1-diphenylethyl)-4-oxoquinoline-3-carboxylate
CID 54148077
methyl 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 143406870
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412
ethyl 7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;hydrochloride
CID 67311806
ethyl 7-(6-amino-5-cyano-3-pyridinyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylate
CID 71289876
ethyl 7-(3-acetamido-2-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 54417815
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
ethyl 1-cyclopropyl-7-[[4-[(2,6-dimethylphenoxy)methyl]cyclohexanecarbonyl]amino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 71530288

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate (CID 68992642) is ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2c(OC)c(-c3cc4n(c3)C[C@H](C)N(C)C4)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is UXNKKWHIWHQVJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-5-33-25(31)19-13-29(16-6-7-16)22-18(23(19)30)9-20(26)21(24(22)32-4)15-8-17-12-27(3)14(2)10-28(17)11-15/h8-9,11,13-14,16H,5-7,10,12H2,1-4H3/t14-/m0/s1.
What are the key properties of ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 453.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-7-[(3S)-2,3-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 68992642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).