N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

C29H32N2O3S — CID 17242309

IUPACN-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
SMILESCOc1ccc2ccccc2c1C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2C2C=CCC21
InChIInChI=1S/C29H32N2O3S/c1-34-27-17-14-19-8-5-6-11-22(19)28(27)29-24-13-7-12-23(24)25-18-21(15-16-26(25)30-29)35(32,33)31-20-9-3-2-4-10-20/h5-8,11-12,14-18,20,23-24,29-31H,2-4,9-10,13H2,1H3
InChIKeySQDUZIWNYYJUET-UHFFFAOYSA-N
MW488.65 g/mol
LogP6.29
Rot. Bonds5

About N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (PubChem CID 17242309) has the molecular formula C29H32N2O3S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
PubChem CID17242309
Molecular FormulaC29H32N2O3S
Molecular Weight488.65 g/mol
Exact Mass488.21
IUPAC NameN-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
SMILESCOc1ccc2ccccc2c1C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2C2C=CCC21
InChIInChI=1S/C29H32N2O3S/c1-34-27-17-14-19-8-5-6-11-22(19)28(27)29-24-13-7-12-23(24)25-18-21(15-16-26(25)30-29)35(32,33)31-20-9-3-2-4-10-20/h5-8,11-12,14-18,20,23-24,29-31H,2-4,9-10,13H2,1H3
InChIKeySQDUZIWNYYJUET-UHFFFAOYSA-N
XLogP6.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.65
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(2-hydroxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 17243279
methyl 4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 17242357
(3aR,4S,9bS)-4-(5-bromo-2-methoxyphenyl)-N-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 124538599
N-tert-butyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17242458
4-(2-methoxynaphthalen-1-yl)-8-(3-phenylpropoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242429
N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide
CID 17242451
4-(2-methoxynaphthalen-1-yl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17242419
4-tert-butyl-N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]benzamide
CID 17242472
N-benzyl-4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 17241899
(3aR,4S,9bS)-4-(2-bromophenyl)-N-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 124538630
(3aS,4R,9bR)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 22193558
(3aS,4S,9bR)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 6559791

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?
The IUPAC name of N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (CID 17242309) is N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is COc1ccc2ccccc2c1C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2C2C=CCC21.
What is the InChIKey of N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?
The InChIKey is SQDUZIWNYYJUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3S/c1-34-27-17-14-19-8-5-6-11-22(19)28(27)29-24-13-7-12-23(24)25-18-21(15-16-26(25)30-29)35(32,33)31-20-9-3-2-4-10-20/h5-8,11-12,14-18,20,23-24,29-31H,2-4,9-10,13H2,1H3.
What are the key properties of N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?
N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide has a molecular weight of 488.65 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is sourced from PubChem (CID 17242309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).