2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

C19H18N4O3 — CID 8023194

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SMILESN#Cc1c2n(c(=O)n(CC(=O)N3CCCc4ccccc43)c1=O)CCC2
InChIInChI=1S/C19H18N4O3/c20-11-14-16-8-4-10-22(16)19(26)23(18(14)25)12-17(24)21-9-3-6-13-5-1-2-7-15(13)21/h1-2,5,7H,3-4,6,8-10,12H2
InChIKeySRBFILTXCMJDHC-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.81
Rot. Bonds2

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile (PubChem CID 8023194) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
PubChem CID8023194
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SMILESN#Cc1c2n(c(=O)n(CC(=O)N3CCCc4ccccc43)c1=O)CCC2
InChIInChI=1S/C19H18N4O3/c20-11-14-16-8-4-10-22(16)19(26)23(18(14)25)12-17(24)21-9-3-6-13-5-1-2-7-15(13)21/h1-2,5,7H,3-4,6,8-10,12H2
InChIKeySRBFILTXCMJDHC-UHFFFAOYSA-N
XLogP0.81
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile with MolForge

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Related Compounds

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133273201
2-[(2S)-2-hydroxy-2-phenylethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 32532729
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8981938
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 8982383
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 53111773
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 15999898
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile (CID 8023194) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile is N#Cc1c2n(c(=O)n(CC(=O)N3CCCc4ccccc43)c1=O)CCC2.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The InChIKey is SRBFILTXCMJDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-11-14-16-8-4-10-22(16)19(26)23(18(14)25)12-17(24)21-9-3-6-13-5-1-2-7-15(13)21/h1-2,5,7H,3-4,6,8-10,12H2.
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile has a molecular weight of 350.38 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile is sourced from PubChem (CID 8023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).