4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide

C25H22N4O3 — CID 95581953

IUPAC4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C25H22N4O3/c30-22(16-27-25(32)19-15-26-20-10-5-4-9-18(20)24(19)31)29-14-13-28-12-6-11-21(28)23(29)17-7-2-1-3-8-17/h1-12,15,23H,13-14,16H2,(H,26,31)(H,27,32)/t23-/m1/s1
InChIKeyUYRDIGCCJNYEJZ-HSZRJFAPSA-N
MW426.48 g/mol
LogP2.69
Rot. Bonds4

About 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide

4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide (PubChem CID 95581953) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide
PubChem CID95581953
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C25H22N4O3/c30-22(16-27-25(32)19-15-26-20-10-5-4-9-18(20)24(19)31)29-14-13-28-12-6-11-21(28)23(29)17-7-2-1-3-8-17/h1-12,15,23H,13-14,16H2,(H,26,31)(H,27,32)/t23-/m1/s1
InChIKeyUYRDIGCCJNYEJZ-HSZRJFAPSA-N
XLogP2.69
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119652095
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119469697
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119542313
3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridin-2-one
CID 94813645
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]-2H-phthalazine-1,4-dione
CID 47022598
N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51946290
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119664601
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 42812378
N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55790883

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide (CID 95581953) is 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide is O=C(NCC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is UYRDIGCCJNYEJZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-22(16-27-25(32)19-15-26-20-10-5-4-9-18(20)24(19)31)29-14-13-28-12-6-11-21(28)23(29)17-7-2-1-3-8-17/h1-12,15,23H,13-14,16H2,(H,26,31)(H,27,32)/t23-/m1/s1.
What are the key properties of 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide?
4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 95581953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).