2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile

C14H15N3O — CID 82243793

IUPAC2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile
SMILESCOc1ccc2c(N(C)C)cc(CC#N)nc2c1
InChIInChI=1S/C14H15N3O/c1-17(2)14-8-10(6-7-15)16-13-9-11(18-3)4-5-12(13)14/h4-5,8-9H,6H2,1-3H3
InChIKeyDBLARCHPZWPLRO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.38
Rot. Bonds3

About 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile

2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile (PubChem CID 82243793) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile
PubChem CID82243793
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile
SMILESCOc1ccc2c(N(C)C)cc(CC#N)nc2c1
InChIInChI=1S/C14H15N3O/c1-17(2)14-8-10(6-7-15)16-13-9-11(18-3)4-5-12(13)14/h4-5,8-9H,6H2,1-3H3
InChIKeyDBLARCHPZWPLRO-UHFFFAOYSA-N
XLogP2.38
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylamino)quinolin-2-yl]acetonitrile
CID 82241601
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile
CID 101497530
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
2-(aminomethyl)-7-methoxy-N-methylquinolin-4-amine
CID 84682953
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518
4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
CID 82577735
4-(4-ethyl-7-methoxyquinolin-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 70863277
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
3-(6-methoxy-2H-indazol-3-yl)propanenitrile
CID 84721358
2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 50877471

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile?
The IUPAC name of 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile (CID 82243793) is 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile is COc1ccc2c(N(C)C)cc(CC#N)nc2c1.
What is the InChIKey of 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile?
The InChIKey is DBLARCHPZWPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(2)14-8-10(6-7-15)16-13-9-11(18-3)4-5-12(13)14/h4-5,8-9H,6H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile?
2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile is sourced from PubChem (CID 82243793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).