(6-methylquinolin-8-yl) (Z)-but-2-enimidate

C14H14N2O — CID 165395659

IUPAC(6-methylquinolin-8-yl) (Z)-but-2-enimidate
SMILES[H]/N=C(\C=C/C)Oc1cc(C)cc2cccnc12
InChIInChI=1S/C14H14N2O/c1-3-5-13(15)17-12-9-10(2)8-11-6-4-7-16-14(11)12/h3-9,15H,1-2H3/b5-3-,15-13+
InChIKeyPYJGCQWXXTWSGU-QQPYNVQXSA-N
MW226.28 g/mol
LogP3.48
Rot. Bonds2

About (6-methylquinolin-8-yl) (Z)-but-2-enimidate

(6-methylquinolin-8-yl) (Z)-but-2-enimidate (PubChem CID 165395659) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (6-methylquinolin-8-yl) (Z)-but-2-enimidate.

Molecular Properties

Compound Name(6-methylquinolin-8-yl) (Z)-but-2-enimidate
PubChem CID165395659
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(6-methylquinolin-8-yl) (Z)-but-2-enimidate
SMILES[H]/N=C(\C=C/C)Oc1cc(C)cc2cccnc12
InChIInChI=1S/C14H14N2O/c1-3-5-13(15)17-12-9-10(2)8-11-6-4-7-16-14(11)12/h3-9,15H,1-2H3/b5-3-,15-13+
InChIKeyPYJGCQWXXTWSGU-QQPYNVQXSA-N
XLogP3.48
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Mebiquine
CID 16683098
ethane;8-methoxy-6-methylquinoline;methyl formate
CID 156896164
8-(3-chlorophenyl)-6-methylquinoline
CID 19381187
6-methylquinoline-8-sulfonyl fluoride
CID 165453594
2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
CID 114768135
benzo[h]quinolin-10-yl 3-methylbenzoate
CID 132509817
2,6-dimethoxy-N-(6-methylquinolin-8-yl)benzamide
CID 110715570
methyl quinoline-8-carboximidate
CID 63970769
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
8-(3-chloro-4-fluorophenyl)-6-methylquinoline
CID 15295268
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290

Frequently Asked Questions

What is the IUPAC name of (6-methylquinolin-8-yl) (Z)-but-2-enimidate?
The IUPAC name of (6-methylquinolin-8-yl) (Z)-but-2-enimidate (CID 165395659) is (6-methylquinolin-8-yl) (Z)-but-2-enimidate.
What is the SMILES notation for (6-methylquinolin-8-yl) (Z)-but-2-enimidate?
The canonical SMILES for (6-methylquinolin-8-yl) (Z)-but-2-enimidate is [H]/N=C(\C=C/C)Oc1cc(C)cc2cccnc12.
What is the InChIKey of (6-methylquinolin-8-yl) (Z)-but-2-enimidate?
The InChIKey is PYJGCQWXXTWSGU-QQPYNVQXSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-5-13(15)17-12-9-10(2)8-11-6-4-7-16-14(11)12/h3-9,15H,1-2H3/b5-3-,15-13+.
What are the key properties of (6-methylquinolin-8-yl) (Z)-but-2-enimidate?
(6-methylquinolin-8-yl) (Z)-but-2-enimidate has a molecular weight of 226.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylquinolin-8-yl) (Z)-but-2-enimidate is sourced from PubChem (CID 165395659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).