8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline

C29H31NO2 — CID 69153969

IUPAC8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline
SMILESC=CCOC(Cc1ccccc1)C1=CC(C)(C)Nc2c1cccc2-c1ccccc1OC
InChIInChI=1S/C29H31NO2/c1-5-18-32-27(19-21-12-7-6-8-13-21)25-20-29(2,3)30-28-23(15-11-16-24(25)28)22-14-9-10-17-26(22)31-4/h5-17,20,27,30H,1,18-19H2,2-4H3
InChIKeyPWWPZKATEPHPIU-UHFFFAOYSA-N
MW425.57 g/mol
LogP6.76
Rot. Bonds8

About 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline

8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline (PubChem CID 69153969) has the molecular formula C29H31NO2 and a molecular weight of 425.57 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline
PubChem CID69153969
Molecular FormulaC29H31NO2
Molecular Weight425.57 g/mol
Exact Mass425.24
IUPAC Name8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline
SMILESC=CCOC(Cc1ccccc1)C1=CC(C)(C)Nc2c1cccc2-c1ccccc1OC
InChIInChI=1S/C29H31NO2/c1-5-18-32-27(19-21-12-7-6-8-13-21)25-20-29(2,3)30-28-23(15-11-16-24(25)28)22-14-9-10-17-26(22)31-4/h5-17,20,27,30H,1,18-19H2,2-4H3
InChIKeyPWWPZKATEPHPIU-UHFFFAOYSA-N
XLogP6.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxybut-3-enyl)-1H-quinoline
CID 10362131
8-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enylsulfanylmethyl)-1H-quinoline
CID 69153225
6-(2-methoxyphenyl)-2,2-dimethyl-4-[phenyl(prop-2-enoxy)methyl]-1H-quinoline
CID 10001663
2-[[8-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanamide
CID 90895340
6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline
CID 10314903
4-(1-but-2-enoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 69153338
4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
CID 23648072
1-ethenyl-2-(2-methoxyphenyl)benzene
CID 150139111
2-benzyl-4-(2-methoxyphenyl)-1,2-benzothiazol-3-one
CID 141453904
N-[2-[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]ethyl]prop-2-en-1-amine
CID 10247176
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline?
The IUPAC name of 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline (CID 69153969) is 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline.
What is the SMILES notation for 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline?
The canonical SMILES for 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline is C=CCOC(Cc1ccccc1)C1=CC(C)(C)Nc2c1cccc2-c1ccccc1OC.
What is the InChIKey of 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline?
The InChIKey is PWWPZKATEPHPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO2/c1-5-18-32-27(19-21-12-7-6-8-13-21)25-20-29(2,3)30-28-23(15-11-16-24(25)28)22-14-9-10-17-26(22)31-4/h5-17,20,27,30H,1,18-19H2,2-4H3.
What are the key properties of 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline?
8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline has a molecular weight of 425.57 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-2,2-dimethyl-4-(2-phenyl-1-prop-2-enoxyethyl)-1H-quinoline is sourced from PubChem (CID 69153969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).