7-methoxy-1,2-dihydroquinoline-4-carbonitrile

C11H10N2O — CID 123990064

IUPAC7-methoxy-1,2-dihydroquinoline-4-carbonitrile
SMILESCOc1ccc2c(c1)NCC=C2C#N
InChIInChI=1S/C11H10N2O/c1-14-9-2-3-10-8(7-12)4-5-13-11(10)6-9/h2-4,6,13H,5H2,1H3
InChIKeyHXCVCXDPFYGJNS-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.03
Rot. Bonds1

About 7-methoxy-1,2-dihydroquinoline-4-carbonitrile

7-methoxy-1,2-dihydroquinoline-4-carbonitrile (PubChem CID 123990064) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 7-methoxy-1,2-dihydroquinoline-4-carbonitrile.

Molecular Properties

Compound Name7-methoxy-1,2-dihydroquinoline-4-carbonitrile
PubChem CID123990064
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name7-methoxy-1,2-dihydroquinoline-4-carbonitrile
SMILESCOc1ccc2c(c1)NCC=C2C#N
InChIInChI=1S/C11H10N2O/c1-14-9-2-3-10-8(7-12)4-5-13-11(10)6-9/h2-4,6,13H,5H2,1H3
InChIKeyHXCVCXDPFYGJNS-UHFFFAOYSA-N
XLogP2.03
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
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5-methoxy-2-pyrimidin-2-ylbenzonitrile
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4-methoxy(13C)benzonitrile
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3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
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2-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84620166
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
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7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde
CID 143221303

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2-dihydroquinoline-4-carbonitrile?
The IUPAC name of 7-methoxy-1,2-dihydroquinoline-4-carbonitrile (CID 123990064) is 7-methoxy-1,2-dihydroquinoline-4-carbonitrile.
What is the SMILES notation for 7-methoxy-1,2-dihydroquinoline-4-carbonitrile?
The canonical SMILES for 7-methoxy-1,2-dihydroquinoline-4-carbonitrile is COc1ccc2c(c1)NCC=C2C#N.
What is the InChIKey of 7-methoxy-1,2-dihydroquinoline-4-carbonitrile?
The InChIKey is HXCVCXDPFYGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-9-2-3-10-8(7-12)4-5-13-11(10)6-9/h2-4,6,13H,5H2,1H3.
What are the key properties of 7-methoxy-1,2-dihydroquinoline-4-carbonitrile?
7-methoxy-1,2-dihydroquinoline-4-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2-dihydroquinoline-4-carbonitrile is sourced from PubChem (CID 123990064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).