9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C28H29NO3 — CID 167639273

IUPAC9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(C)cc(OC)c21
InChIInChI=1S/C28H29NO3/c1-4-19-13-14-29(25-15-18(2)16-26(31-3)27(19)25)28(30)32-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,15-16,19,24H,4,13-14,17H2,1-3H3/t19-/m1/s1
InChIKeyZKZSSHDYVJCNNZ-LJQANCHMSA-N
MW427.54 g/mol
LogP6.66
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 167639273) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID167639273
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(C)cc(OC)c21
InChIInChI=1S/C28H29NO3/c1-4-19-13-14-29(25-15-18(2)16-26(31-3)27(19)25)28(30)32-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,15-16,19,24H,4,13-14,17H2,1-3H3/t19-/m1/s1
InChIKeyZKZSSHDYVJCNNZ-LJQANCHMSA-N
XLogP6.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (4R)-8-bromo-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 167709506
1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167633246
9H-fluoren-9-ylmethyl (4R)-4-ethyl-5,7-dihydroxy-6-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 165152639
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 177172610
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 63404851
9H-fluoren-9-ylmethyl 3-(3-methoxy-4-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171947058
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-(2,6-dimethoxyphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171955278
butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 91310287
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
9H-fluoren-9-ylmethyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171961413

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 167639273) is 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is CC[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(C)cc(OC)c21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is ZKZSSHDYVJCNNZ-LJQANCHMSA-N. The full InChI is InChI=1S/C28H29NO3/c1-4-19-13-14-29(25-15-18(2)16-26(31-3)27(19)25)28(30)32-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,15-16,19,24H,4,13-14,17H2,1-3H3/t19-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 427.54 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 167639273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).