(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol

C25H31NO2 — CID 129054492

IUPAC(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol
SMILESCC1=CC(c2cc(C)cc(C)c2C)N(O/C(C)=C\C(C)O)c2cccc(C)c21
InChIInChI=1S/C25H31NO2/c1-15-11-17(3)21(7)22(12-15)24-13-18(4)25-16(2)9-8-10-23(25)26(24)28-20(6)14-19(5)27/h8-14,19,24,27H,1-7H3/b20-14-
InChIKeyMBOQCYWRUUZVTA-ZHZULCJRSA-N
MW377.53 g/mol
LogP6.10
Rot. Bonds4

About (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol

(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol (PubChem CID 129054492) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol
PubChem CID129054492
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol
SMILESCC1=CC(c2cc(C)cc(C)c2C)N(O/C(C)=C\C(C)O)c2cccc(C)c21
InChIInChI=1S/C25H31NO2/c1-15-11-17(3)21(7)22(12-15)24-13-18(4)25-16(2)9-8-10-23(25)26(24)28-20(6)14-19(5)27/h8-14,19,24,27H,1-7H3/b20-14-
InChIKeyMBOQCYWRUUZVTA-ZHZULCJRSA-N
XLogP6.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol?
The IUPAC name of (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol (CID 129054492) is (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol.
What is the SMILES notation for (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol?
The canonical SMILES for (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol is CC1=CC(c2cc(C)cc(C)c2C)N(O/C(C)=C\C(C)O)c2cccc(C)c21.
What is the InChIKey of (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol?
The InChIKey is MBOQCYWRUUZVTA-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H31NO2/c1-15-11-17(3)21(7)22(12-15)24-13-18(4)25-16(2)9-8-10-23(25)26(24)28-20(6)14-19(5)27/h8-14,19,24,27H,1-7H3/b20-14-.
What are the key properties of (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol?
(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol has a molecular weight of 377.53 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol is sourced from PubChem (CID 129054492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).