9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C33H30N2O3 — CID 171948562

IUPAC9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1c(C(=O)C2CC3CCC(C2)N3C(=O)OCC2c3ccccc3-c3ccccc32)ccc2cccnc12
InChIInChI=1S/C33H30N2O3/c1-20-25(15-12-21-7-6-16-34-31(20)21)32(36)22-17-23-13-14-24(18-22)35(23)33(37)38-19-30-28-10-4-2-8-26(28)27-9-3-5-11-29(27)30/h2-12,15-16,22-24,30H,13-14,17-19H2,1H3
InChIKeyODHPYKGPNYNWTE-UHFFFAOYSA-N
MW502.61 g/mol
LogP6.92
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171948562) has the molecular formula C33H30N2O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171948562
Molecular FormulaC33H30N2O3
Molecular Weight502.61 g/mol
Exact Mass502.23
IUPAC Name9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1c(C(=O)C2CC3CCC(C2)N3C(=O)OCC2c3ccccc3-c3ccccc32)ccc2cccnc12
InChIInChI=1S/C33H30N2O3/c1-20-25(15-12-21-7-6-16-34-31(20)21)32(36)22-17-23-13-14-24(18-22)35(23)33(37)38-19-30-28-10-4-2-8-26(28)27-9-3-5-11-29(27)30/h2-12,15-16,22-24,30H,13-14,17-19H2,1H3
InChIKeyODHPYKGPNYNWTE-UHFFFAOYSA-N
XLogP6.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171942022
9H-fluoren-9-ylmethyl 7-(2-methylpyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950401
9H-fluoren-9-ylmethyl 3-(2-methylpyrimidine-5-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950703
9H-fluoren-9-ylmethyl 3-(3-cyanopyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944020
9H-fluoren-9-ylmethyl 3-(4-methoxy-2,5-dimethylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171940697
9H-fluoren-9-ylmethyl 3-(2-cyano-4-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171946261
9H-fluoren-9-ylmethyl 7-(3-methylpyridine-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950327
9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171943796
9H-fluoren-9-ylmethyl 3-(4-methoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944193
3-O-ethyl 9-O-(9H-fluoren-9-ylmethyl) 9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate
CID 171936295
9H-fluoren-9-ylmethyl 3-(2-cyano-5-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171946236
9H-fluoren-9-ylmethyl 3-(isoquinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941905

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171948562) is 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is Cc1c(C(=O)C2CC3CCC(C2)N3C(=O)OCC2c3ccccc3-c3ccccc32)ccc2cccnc12.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is ODHPYKGPNYNWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O3/c1-20-25(15-12-21-7-6-16-34-31(20)21)32(36)22-17-23-13-14-24(18-22)35(23)33(37)38-19-30-28-10-4-2-8-26(28)27-9-3-5-11-29(27)30/h2-12,15-16,22-24,30H,13-14,17-19H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 502.61 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171948562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).