1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine

C16H14ClN3O — CID 107387718

IUPAC1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-18-8-11-6-14(17)16(20-9-11)21-13-7-12-4-2-3-5-15(12)19-10-13/h2-7,9-10,18H,8H2,1H3
InChIKeySDTATVVQYRSOIX-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.79
Rot. Bonds4

About 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine

1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 107387718) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
PubChem CID107387718
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-18-8-11-6-14(17)16(20-9-11)21-13-7-12-4-2-3-5-15(12)19-10-13/h2-7,9-10,18H,8H2,1H3
InChIKeySDTATVVQYRSOIX-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
CID 107387617
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486506
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294086
3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline
CID 155171669
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
N,5-dimethyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388464
3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline
CID 155171674
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807
N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine
CID 106486733

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine (CID 107387718) is 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine is CNCc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is SDTATVVQYRSOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-18-8-11-6-14(17)16(20-9-11)21-13-7-12-4-2-3-5-15(12)19-10-13/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine?
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 299.76 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 107387718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).