ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate

C23H23N3O5 — CID 139840840

IUPACethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn([C@H]2CCN(C(=O)OCc3ccccc3)C2)c2ncccc2c1=O
InChIInChI=1S/C23H23N3O5/c1-2-30-22(28)19-14-26(21-18(20(19)27)9-6-11-24-21)17-10-12-25(13-17)23(29)31-15-16-7-4-3-5-8-16/h3-9,11,14,17H,2,10,12-13,15H2,1H3/t17-/m0/s1
InChIKeyMOISBDGRYJUMOE-KRWDZBQOSA-N
MW421.45 g/mol
LogP3.16
Rot. Bonds5

About ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate

ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate (PubChem CID 139840840) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
PubChem CID139840840
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Nameethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn([C@H]2CCN(C(=O)OCc3ccccc3)C2)c2ncccc2c1=O
InChIInChI=1S/C23H23N3O5/c1-2-30-22(28)19-14-26(21-18(20(19)27)9-6-11-24-21)17-10-12-25(13-17)23(29)31-15-16-7-4-3-5-8-16/h3-9,11,14,17H,2,10,12-13,15H2,1H3/t17-/m0/s1
InChIKeyMOISBDGRYJUMOE-KRWDZBQOSA-N
XLogP3.16
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 18331271
ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70240562
benzyl 4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]piperidine-1-carboxylate
CID 15908301
1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20714272
1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70240187
benzyl N-[4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]cyclohexyl]carbamate
CID 70239927
benzyl 4-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 71628881
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
CID 124547561
benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 97170825
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-(2-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 170885033

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate (CID 139840840) is ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn([C@H]2CCN(C(=O)OCc3ccccc3)C2)c2ncccc2c1=O.
What is the InChIKey of ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate?
The InChIKey is MOISBDGRYJUMOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-2-30-22(28)19-14-26(21-18(20(19)27)9-6-11-24-21)17-10-12-25(13-17)23(29)31-15-16-7-4-3-5-8-16/h3-9,11,14,17H,2,10,12-13,15H2,1H3/t17-/m0/s1.
What are the key properties of ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate?
ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 139840840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).