N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine

C20H23ClN6 — CID 176561509

IUPACN-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine
SMILESClc1cc2nccnc2cc1CNC1=CNCC=C1N1CCNCC12CC2
InChIInChI=1S/C20H23ClN6/c21-15-10-17-16(24-5-6-25-17)9-14(15)11-26-18-12-22-4-1-19(18)27-8-7-23-13-20(27)2-3-20/h1,5-6,9-10,12,22-23,26H,2-4,7-8,11,13H2
InChIKeyFWDDODQQJLGTRA-UHFFFAOYSA-N
MW382.90 g/mol
LogP2.14
Rot. Bonds4

About N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine

N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine (PubChem CID 176561509) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine
PubChem CID176561509
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC NameN-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine
SMILESClc1cc2nccnc2cc1CNC1=CNCC=C1N1CCNCC12CC2
InChIInChI=1S/C20H23ClN6/c21-15-10-17-16(24-5-6-25-17)9-14(15)11-26-18-12-22-4-1-19(18)27-8-7-23-13-20(27)2-3-20/h1,5-6,9-10,12,22-23,26H,2-4,7-8,11,13H2
InChIKeyFWDDODQQJLGTRA-UHFFFAOYSA-N
XLogP2.14
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine?
The IUPAC name of N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine (CID 176561509) is N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine is Clc1cc2nccnc2cc1CNC1=CNCC=C1N1CCNCC12CC2.
What is the InChIKey of N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine?
The InChIKey is FWDDODQQJLGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6/c21-15-10-17-16(24-5-6-25-17)9-14(15)11-26-18-12-22-4-1-19(18)27-8-7-23-13-20(27)2-3-20/h1,5-6,9-10,12,22-23,26H,2-4,7-8,11,13H2.
What are the key properties of N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine?
N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine has a molecular weight of 382.90 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 176561509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).