8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide

C24H27N3O3 — CID 170163604

IUPAC8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide
SMILESCOc1cc(C2=CCC(C)(C)CC2)c2ncc(C(=O)N[C@H](C)c3ncco3)cc2c1
InChIInChI=1S/C24H27N3O3/c1-15(23-25-9-10-30-23)27-22(28)18-11-17-12-19(29-4)13-20(21(17)26-14-18)16-5-7-24(2,3)8-6-16/h5,9-15H,6-8H2,1-4H3,(H,27,28)/t15-/m1/s1
InChIKeyUDFNAUGUDRQKBV-OAHLLOKOSA-N
MW405.50 g/mol
LogP5.32
Rot. Bonds5

About 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide

8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide (PubChem CID 170163604) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide
PubChem CID170163604
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide
SMILESCOc1cc(C2=CCC(C)(C)CC2)c2ncc(C(=O)N[C@H](C)c3ncco3)cc2c1
InChIInChI=1S/C24H27N3O3/c1-15(23-25-9-10-30-23)27-22(28)18-11-17-12-19(29-4)13-20(21(17)26-14-18)16-5-7-24(2,3)8-6-16/h5,9-15H,6-8H2,1-4H3,(H,27,28)/t15-/m1/s1
InChIKeyUDFNAUGUDRQKBV-OAHLLOKOSA-N
XLogP5.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide with MolForge

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Related Compounds

6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 169199765
N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 175968292
8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide
CID 169199896
methyl 6-methoxy-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxylate
CID 170163097
8-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[(2R)-1-hydroxypropan-2-yl]-6-methoxyquinoline-3-carboxamide
CID 166552529
6-methoxy-N-(1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213963
6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199917
2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 172743373
8-(4,4-difluorocyclohexen-1-yl)quinoline-3-carboxylic acid;ethane
CID 169199637
5-(2,2-difluorospiro[3.5]non-7-en-7-yl)-N-propan-2-ylquinoline-3-carboxamide
CID 169199808
(2R)-2-[[6-methoxy-8-[4-(trifluoromethyl)piperidin-1-yl]quinoline-3-carbonyl]amino]propanoic acid
CID 166552561
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide (CID 170163604) is 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide is COc1cc(C2=CCC(C)(C)CC2)c2ncc(C(=O)N[C@H](C)c3ncco3)cc2c1.
What is the InChIKey of 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide?
The InChIKey is UDFNAUGUDRQKBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(23-25-9-10-30-23)27-22(28)18-11-17-12-19(29-4)13-20(21(17)26-14-18)16-5-7-24(2,3)8-6-16/h5,9-15H,6-8H2,1-4H3,(H,27,28)/t15-/m1/s1.
What are the key properties of 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide?
8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-dimethylcyclohexen-1-yl)-6-methoxy-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 170163604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).