3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

C15H15ClN4O — CID 168937063

IUPAC3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESCOC1=C(Cl)CNC=C1NCc1ccc2nccnc2c1
InChIInChI=1S/C15H15ClN4O/c1-21-15-11(16)8-17-9-14(15)20-7-10-2-3-12-13(6-10)19-5-4-18-12/h2-6,9,17,20H,7-8H2,1H3
InChIKeyXUIRMURDVQMQLL-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 168937063) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID168937063
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESCOC1=C(Cl)CNC=C1NCc1ccc2nccnc2c1
InChIInChI=1S/C15H15ClN4O/c1-21-15-11(16)8-17-9-14(15)20-7-10-2-3-12-13(6-10)19-5-4-18-12/h2-6,9,17,20H,7-8H2,1H3
InChIKeyXUIRMURDVQMQLL-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
CID 176561576
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561428
propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
CID 168936928
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
CID 168937373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 168937063) is 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is COC1=C(Cl)CNC=C1NCc1ccc2nccnc2c1.
What is the InChIKey of 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is XUIRMURDVQMQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-21-15-11(16)8-17-9-14(15)20-7-10-2-3-12-13(6-10)19-5-4-18-12/h2-6,9,17,20H,7-8H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 302.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).