4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine

C17H16ClN5O — CID 168937091

IUPAC4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
SMILESClc1cc2nccnc2cc1CNc1cnccc1OC1CNC1
InChIInChI=1S/C17H16ClN5O/c18-13-6-15-14(21-3-4-22-15)5-11(13)7-23-16-10-19-2-1-17(16)24-12-8-20-9-12/h1-6,10,12,20,23H,7-9H2
InChIKeyRHXHVINLICSGDM-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.64
Rot. Bonds5

About 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine

4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine (PubChem CID 168937091) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
PubChem CID168937091
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
SMILESClc1cc2nccnc2cc1CNc1cnccc1OC1CNC1
InChIInChI=1S/C17H16ClN5O/c18-13-6-15-14(21-3-4-22-15)5-11(13)7-23-16-10-19-2-1-17(16)24-12-8-20-9-12/h1-6,10,12,20,23H,7-9H2
InChIKeyRHXHVINLICSGDM-UHFFFAOYSA-N
XLogP2.64
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
CID 168936957
N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
CID 168937285
5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine
CID 168937149
3-chloro-4-pyrrolidin-3-yloxypyridine
CID 79840362
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83163614
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
CID 83167265
2-bromo-6-[[(4-chloro-3-pyridinyl)amino]methyl]phenol
CID 83165585

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
The IUPAC name of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine (CID 168937091) is 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
The canonical SMILES for 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine is Clc1cc2nccnc2cc1CNc1cnccc1OC1CNC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
The InChIKey is RHXHVINLICSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-6-15-14(21-3-4-22-15)5-11(13)7-23-16-10-19-2-1-17(16)24-12-8-20-9-12/h1-6,10,12,20,23H,7-9H2.
What are the key properties of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine has a molecular weight of 341.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 168937091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).