7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile

C17H24N2O — CID 133202957

IUPAC7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
SMILESCOc1cc2c(cc1C#N)C(C)CC(C)(C)N2C(C)C
InChIInChI=1S/C17H24N2O/c1-11(2)19-15-8-16(20-6)13(10-18)7-14(15)12(3)9-17(19,4)5/h7-8,11-12H,9H2,1-6H3
InChIKeyOKTHITLRXPSLGL-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.07
Rot. Bonds2

About 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile

7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile (PubChem CID 133202957) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
PubChem CID133202957
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
SMILESCOc1cc2c(cc1C#N)C(C)CC(C)(C)N2C(C)C
InChIInChI=1S/C17H24N2O/c1-11(2)19-15-8-16(20-6)13(10-18)7-14(15)12(3)9-17(19,4)5/h7-8,11-12H,9H2,1-6H3
InChIKeyOKTHITLRXPSLGL-UHFFFAOYSA-N
XLogP4.07
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 125046149
(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125046694
1-[(4R)-7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
CID 125046947
(7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methanamine
CID 133203007
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methanimine
CID 132654682
2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202967
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203028
(4R)-1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047022
N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
CID 125043161
(4R)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbonitrile
CID 125047353
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170657

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
The IUPAC name of 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile (CID 133202957) is 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile.
What is the SMILES notation for 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
The canonical SMILES for 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile is COc1cc2c(cc1C#N)C(C)CC(C)(C)N2C(C)C.
What is the InChIKey of 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
The InChIKey is OKTHITLRXPSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)19-15-8-16(20-6)13(10-18)7-14(15)12(3)9-17(19,4)5/h7-8,11-12H,9H2,1-6H3.
What are the key properties of 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile?
7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile has a molecular weight of 272.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile is sourced from PubChem (CID 133202957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).