N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide

C19H27N3O3 — CID 126935615

IUPACN-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)C1CCOC1
InChIInChI=1S/C19H27N3O3/c23-18-11-13-3-1-2-4-17(13)21-22(18)16-7-5-15(6-8-16)20-19(24)14-9-10-25-12-14/h11,14-16H,1-10,12H2,(H,20,24)
InChIKeyYSWBALSKMXUDHE-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.76
Rot. Bonds3

About N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide

N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 126935615) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide
PubChem CID126935615
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)C1CCOC1
InChIInChI=1S/C19H27N3O3/c23-18-11-13-3-1-2-4-17(13)21-22(18)16-7-5-15(6-8-16)20-19(24)14-9-10-25-12-14/h11,14-16H,1-10,12H2,(H,20,24)
InChIKeyYSWBALSKMXUDHE-UHFFFAOYSA-N
XLogP1.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide
CID 126935332
1-(oxan-4-yl)-3-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]urea
CID 126935296
2-(oxolan-2-yl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]acetamide
CID 126935618
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]oxolane-3-carboxamide
CID 122280706
1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide
CID 126935967
1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
CID 126935616
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935813
5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126935642
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 126935960
2-[4-(thian-4-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935544
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide (CID 126935615) is N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)C1CCOC1.
What is the InChIKey of N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is YSWBALSKMXUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18-11-13-3-1-2-4-17(13)21-22(18)16-7-5-15(6-8-16)20-19(24)14-9-10-25-12-14/h11,14-16H,1-10,12H2,(H,20,24).
What are the key properties of N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide?
N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 126935615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).