4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine

C14H12ClN5O — CID 81427697

IUPAC4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2cccc3cccnc23)n1
InChIInChI=1S/C14H12ClN5O/c1-21-14-19-12(15)18-13(20-14)17-8-10-5-2-4-9-6-3-7-16-11(9)10/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyYFYXVKVVBFYBPA-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 81427697) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID81427697
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2cccc3cccnc23)n1
InChIInChI=1S/C14H12ClN5O/c1-21-14-19-12(15)18-13(20-14)17-8-10-5-2-4-9-6-3-7-16-11(9)10/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyYFYXVKVVBFYBPA-UHFFFAOYSA-N
XLogP2.69
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]-1,3,5-triazin-2-amine
CID 103111884
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-(quinolin-8-ylmethyl)aniline
CID 28610045
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
CID 116785194
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81424090
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine (CID 81427697) is 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCc2cccc3cccnc23)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is YFYXVKVVBFYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-21-14-19-12(15)18-13(20-14)17-8-10-5-2-4-9-6-3-7-16-11(9)10/h2-7H,8H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 301.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 81427697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).