(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol

C25H29NO — CID 16725119

IUPAC(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol
SMILESCCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1cnc2ccccc2c1
InChIInChI=1S/C25H29NO/c1-2-3-4-8-14-24(21-11-6-5-7-12-21)23(19-27)17-20-16-22-13-9-10-15-25(22)26-18-20/h5-16,18,23-24,27H,2-4,17,19H2,1H3/b14-8+/t23-,24+/m0/s1
InChIKeyPJVWQPGHGKWJIT-RUENKOOFSA-N
MW359.51 g/mol
LogP5.92
Rot. Bonds9

About (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol

(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol (PubChem CID 16725119) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol
PubChem CID16725119
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol
SMILESCCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1cnc2ccccc2c1
InChIInChI=1S/C25H29NO/c1-2-3-4-8-14-24(21-11-6-5-7-12-21)23(19-27)17-20-16-22-13-9-10-15-25(22)26-18-20/h5-16,18,23-24,27H,2-4,17,19H2,1H3/b14-8+/t23-,24+/m0/s1
InChIKeyPJVWQPGHGKWJIT-RUENKOOFSA-N
XLogP5.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methylquinoline
CID 10285
4-(4-Dimethylaminostyryl)quinoline
CID 668053
Phenanthridine
CID 9189
(Isobutyl)quinoline
CID 74005
Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-
CID 1405133
3-((E)-Styryl)-quinoline
CID 10243001
Isopropylquinoline (mixed isomers)
CID 74004
4-Butylquinoline
CID 14641784
6-Hydroxymethylquinoline
CID 1514385
4-(Hydroxymethyl)quinoline
CID 80479
Cryptocyanin
CID 5351156
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol?
The IUPAC name of (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol (CID 16725119) is (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol.
What is the SMILES notation for (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol?
The canonical SMILES for (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol is CCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1cnc2ccccc2c1.
What is the InChIKey of (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol?
The InChIKey is PJVWQPGHGKWJIT-RUENKOOFSA-N. The full InChI is InChI=1S/C25H29NO/c1-2-3-4-8-14-24(21-11-6-5-7-12-21)23(19-27)17-20-16-22-13-9-10-15-25(22)26-18-20/h5-16,18,23-24,27H,2-4,17,19H2,1H3/b14-8+/t23-,24+/m0/s1.
What are the key properties of (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol?
(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol has a molecular weight of 359.51 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol is sourced from PubChem (CID 16725119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).