N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine

C20H23ClN6O — CID 70682873

IUPACN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C20H23ClN6O/c1-14-12-19(26-20(25-14)27-8-10-28-11-9-27)24-7-6-23-17-4-5-22-18-13-15(21)2-3-16(17)18/h2-5,12-13H,6-11H2,1H3,(H,22,23)(H,24,25,26)
InChIKeyMDYIDRPZDMELEQ-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.35
Rot. Bonds6

About N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine

N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 70682873) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID70682873
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C20H23ClN6O/c1-14-12-19(26-20(25-14)27-8-10-28-11-9-27)24-7-6-23-17-4-5-22-18-13-15(21)2-3-16(17)18/h2-5,12-13H,6-11H2,1H3,(H,22,23)(H,24,25,26)
InChIKeyMDYIDRPZDMELEQ-UHFFFAOYSA-N
XLogP3.35
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine 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

4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
4-Anilinopyrido[3,4-d]pyrimidine 31
CID 5329092
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6-morpholin-4-ylpyridin-2-yl)methyl]amino}quinoline-3-carbonitrile
CID 17758463
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
4-(2-(4-(2-Aminoethyl)Piperazin-1-Yl)Pyridin-4-Yl)-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine
CID 656967
N-(2-chloro-6-methylphenyl)-12-morpholin-4-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9908658
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(4-methyl-1-piperazinyl)-2-pentynamide
CID 11518389
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(4-morpholinyl)-2-pentynamide
CID 11568720

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 70682873) is N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine is Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(N2CCOCC2)n1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is MDYIDRPZDMELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-14-12-19(26-20(25-14)27-8-10-28-11-9-27)24-7-6-23-17-4-5-22-18-13-15(21)2-3-16(17)18/h2-5,12-13H,6-11H2,1H3,(H,22,23)(H,24,25,26).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 398.90 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 70682873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).