(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol

C16H21N3O — CID 63976074

IUPAC(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H21N3O/c1-3-19-10-8-17-16(19)15(20)13-6-7-14-12(11-13)5-4-9-18(14)2/h6-8,10-11,15,20H,3-5,9H2,1-2H3
InChIKeyWZNAINKCCCVSRG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.37
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol

(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (PubChem CID 63976074) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
PubChem CID63976074
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H21N3O/c1-3-19-10-8-17-16(19)15(20)13-6-7-14-12(11-13)5-4-9-18(14)2/h6-8,10-11,15,20H,3-5,9H2,1-2H3
InChIKeyWZNAINKCCCVSRG-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
(1-ethylimidazol-2-yl)-pyridazin-4-ylmethanol
CID 104672120
(1-ethylimidazol-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 63976278
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
ethyl 2-amino-3-hydroxy-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propanoate
CID 115481721
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005986

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (CID 63976074) is (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol is CCn1ccnc1C(O)c1ccc2c(c1)CCCN2C.
What is the InChIKey of (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The InChIKey is WZNAINKCCCVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-10-8-17-16(19)15(20)13-6-7-14-12(11-13)5-4-9-18(14)2/h6-8,10-11,15,20H,3-5,9H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol is sourced from PubChem (CID 63976074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).