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

C17H18ClN5O — CID 176691496

IUPAC4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESClC1=C(OC2CNC2)C(NCc2ccc3nccnc3c2)=CNC1
InChIInChI=1S/C17H18ClN5O/c18-13-9-20-10-16(17(13)24-12-7-19-8-12)23-6-11-1-2-14-15(5-11)22-4-3-21-14/h1-5,10,12,19-20,23H,6-9H2
InChIKeyDCJFARFSDVZNGD-UHFFFAOYSA-N
MW343.82 g/mol
LogP1.60
Rot. Bonds5

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

4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 176691496) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID176691496
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESClC1=C(OC2CNC2)C(NCc2ccc3nccnc3c2)=CNC1
InChIInChI=1S/C17H18ClN5O/c18-13-9-20-10-16(17(13)24-12-7-19-8-12)23-6-11-1-2-14-15(5-11)22-4-3-21-14/h1-5,10,12,19-20,23H,6-9H2
InChIKeyDCJFARFSDVZNGD-UHFFFAOYSA-N
XLogP1.60
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 176691496) is 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is ClC1=C(OC2CNC2)C(NCc2ccc3nccnc3c2)=CNC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is DCJFARFSDVZNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-13-9-20-10-16(17(13)24-12-7-19-8-12)23-6-11-1-2-14-15(5-11)22-4-3-21-14/h1-5,10,12,19-20,23H,6-9H2.
What are the key properties of 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 343.82 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 176691496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).