1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C16H15ClN2S — CID 115697393

IUPAC1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H15ClN2S/c1-11-6-8-20-15(11)10-18-9-12-4-5-14(17)13-3-2-7-19-16(12)13/h2-8,18H,9-10H2,1H3
InChIKeyUUKAUJCZGCGANX-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.55
Rot. Bonds4

About 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 115697393) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID115697393
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H15ClN2S/c1-11-6-8-20-15(11)10-18-9-12-4-5-14(17)13-3-2-7-19-16(12)13/h2-8,18H,9-10H2,1H3
InChIKeyUUKAUJCZGCGANX-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
N-[(5-chloroquinolin-8-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115697343
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63993460

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 115697393) is 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CNCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is UUKAUJCZGCGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11-6-8-20-15(11)10-18-9-12-4-5-14(17)13-3-2-7-19-16(12)13/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 302.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 115697393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).