N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine

C17H16ClN3O — CID 166183159

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine
SMILESClc1ccc(COCCNc2ccnc3cnccc23)cc1
InChIInChI=1S/C17H16ClN3O/c18-14-3-1-13(2-4-14)12-22-10-9-21-16-6-8-20-17-11-19-7-5-15(16)17/h1-8,11H,9-10,12H2,(H,20,21)
InChIKeyLOPMPKIAOFRJKY-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.91
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine (PubChem CID 166183159) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine
PubChem CID166183159
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine
SMILESClc1ccc(COCCNc2ccnc3cnccc23)cc1
InChIInChI=1S/C17H16ClN3O/c18-14-3-1-13(2-4-14)12-22-10-9-21-16-6-8-20-17-11-19-7-5-15(16)17/h1-8,11H,9-10,12H2,(H,20,21)
InChIKeyLOPMPKIAOFRJKY-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine
CID 166233204
7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine
CID 51041299
5-bromo-N-[2-[(4-chlorophenyl)methoxy]ethyl]pyrimidin-2-amine
CID 133390150
N-[2-[(4-chlorophenyl)methoxy]ethyl]pyridin-2-amine
CID 133390134
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
CID 70319310
N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 71761856
N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
methyl N,N-bis[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]carbamate
CID 155355426
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine (CID 166183159) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine is Clc1ccc(COCCNc2ccnc3cnccc23)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine?
The InChIKey is LOPMPKIAOFRJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-3-1-13(2-4-14)12-22-10-9-21-16-6-8-20-17-11-19-7-5-15(16)17/h1-8,11H,9-10,12H2,(H,20,21).
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine is sourced from PubChem (CID 166183159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).