2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide

C14H17N5O3 — CID 122277383

IUPAC2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c20-12-7-9-3-1-2-4-10(9)18-19(12)6-5-15-13(21)11-8-16-14(22)17-11/h7-8H,1-6H2,(H,15,21)(H2,16,17,22)
InChIKeyFLMCMMJSGKBEGY-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.43
Rot. Bonds4

About 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide

2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide (PubChem CID 122277383) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
PubChem CID122277383
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c20-12-7-9-3-1-2-4-10(9)18-19(12)6-5-15-13(21)11-8-16-14(22)17-11/h7-8H,1-6H2,(H,15,21)(H2,16,17,22)
InChIKeyFLMCMMJSGKBEGY-UHFFFAOYSA-N
XLogP-0.43
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122277494
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 122277380
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
4-cyano-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277293
2-[[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862715
3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide
CID 122277487
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide (CID 122277383) is 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide is O=C(NCCn1nc2c(cc1=O)CCCC2)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is FLMCMMJSGKBEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-12-7-9-3-1-2-4-10(9)18-19(12)6-5-15-13(21)11-8-16-14(22)17-11/h7-8H,1-6H2,(H,15,21)(H2,16,17,22).
What are the key properties of 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 122277383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).