(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine

C17H20N2 — CID 170732949

IUPAC(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine
SMILESCC/C=C(/C=C\c1ccc2cccnc2c1C)CN
InChIInChI=1S/C17H20N2/c1-3-5-14(12-18)7-8-15-9-10-16-6-4-11-19-17(16)13(15)2/h4-11H,3,12,18H2,1-2H3/b8-7-,14-5-
InChIKeyGJWCWPLZGGOXMQ-GJXYIPJLSA-N
MW252.36 g/mol
LogP3.85
Rot. Bonds4

About (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine

(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine (PubChem CID 170732949) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine
PubChem CID170732949
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine
SMILESCC/C=C(/C=C\c1ccc2cccnc2c1C)CN
InChIInChI=1S/C17H20N2/c1-3-5-14(12-18)7-8-15-9-10-16-6-4-11-19-17(16)13(15)2/h4-11H,3,12,18H2,1-2H3/b8-7-,14-5-
InChIKeyGJWCWPLZGGOXMQ-GJXYIPJLSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(8-methylquinolin-7-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802104
8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline
CID 137484546
iridium(3+);1,10-phenanthroline
CID 175702049
7,8-dimethylquinoline;ethane
CID 91494918
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline
CID 142062961
2-[(3Z)-4-(8-aminoquinolin-7-yl)buta-1,3-dien-2-yl]phenol
CID 89193765
(Z)-3-[8-(3-methyl-5-phenylphenyl)quinolin-7-yl]prop-2-en-1-amine
CID 145384117
methanol;1,7-phenanthroline
CID 174496893
7-ethenyl-8-prop-1-en-2-ylquinoline
CID 144820069
2,8-dimethyl-7-[(1Z)-3-methylbuta-1,3-dienyl]quinoline;ethane
CID 144612420
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine?
The IUPAC name of (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine (CID 170732949) is (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine?
The canonical SMILES for (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine is CC/C=C(/C=C\c1ccc2cccnc2c1C)CN.
What is the InChIKey of (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine?
The InChIKey is GJWCWPLZGGOXMQ-GJXYIPJLSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-5-14(12-18)7-8-15-9-10-16-6-4-11-19-17(16)13(15)2/h4-11H,3,12,18H2,1-2H3/b8-7-,14-5-.
What are the key properties of (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine?
(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine has a molecular weight of 252.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine is sourced from PubChem (CID 170732949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).