N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine

C20H23ClN6O — CID 71736287

IUPACN-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNc3ccnc(N4CCOCC4)n3)ccnc2c1
InChIInChI=1S/C20H23ClN6O/c21-15-2-3-16-17(4-8-23-18(16)14-15)22-6-1-7-24-19-5-9-25-20(26-19)27-10-12-28-13-11-27/h2-5,8-9,14H,1,6-7,10-13H2,(H,22,23)(H,24,25,26)
InChIKeyYBLLIORPSKPIEX-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.43
Rot. Bonds7

About N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine

N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 71736287) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID71736287
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESClc1ccc2c(NCCCNc3ccnc(N4CCOCC4)n3)ccnc2c1
InChIInChI=1S/C20H23ClN6O/c21-15-2-3-16-17(4-8-23-18(16)14-15)22-6-1-7-24-19-5-9-25-20(26-19)27-10-12-28-13-11-27/h2-5,8-9,14H,1,6-7,10-13H2,(H,22,23)(H,24,25,26)
InChIKeyYBLLIORPSKPIEX-UHFFFAOYSA-N
XLogP3.43
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Cgp-60474
CID 644215
Nsc343227
CID 335083
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
6-[(3-Chloro-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 470177
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-morpholinyl)-2-pentynamide
CID 11568720

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine (CID 71736287) is N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine is Clc1ccc2c(NCCCNc3ccnc(N4CCOCC4)n3)ccnc2c1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is YBLLIORPSKPIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c21-15-2-3-16-17(4-8-23-18(16)14-15)22-6-1-7-24-19-5-9-25-20(26-19)27-10-12-28-13-11-27/h2-5,8-9,14H,1,6-7,10-13H2,(H,22,23)(H,24,25,26).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine?
N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 398.90 g/mol, XLogP of 3.43, 7 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'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 71736287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).