N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine

C22H22ClN5 — CID 67942524

IUPACN-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
SMILESClc1ccc2ncnc(NCCNCCNc3cccc4ccccc34)c2c1
InChIInChI=1S/C22H22ClN5/c23-17-8-9-21-19(14-17)22(28-15-27-21)26-13-11-24-10-12-25-20-7-3-5-16-4-1-2-6-18(16)20/h1-9,14-15,24-25H,10-13H2,(H,26,27,28)
InChIKeyQGJHBAKNDYZYIS-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.55
Rot. Bonds8

About N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine

N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine (PubChem CID 67942524) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
PubChem CID67942524
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC NameN-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
SMILESClc1ccc2ncnc(NCCNCCNc3cccc4ccccc34)c2c1
InChIInChI=1S/C22H22ClN5/c23-17-8-9-21-19(14-17)22(28-15-27-21)26-13-11-24-10-12-25-20-7-3-5-16-4-1-2-6-18(16)20/h1-9,14-15,24-25H,10-13H2,(H,26,27,28)
InChIKeyQGJHBAKNDYZYIS-UHFFFAOYSA-N
XLogP4.55
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942505
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096
6-iodo-N-naphthalen-1-ylquinazolin-4-amine
CID 23797713
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
N-tert-butyl-6-chloroquinazolin-4-amine
CID 119092250
6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
CID 23631998
2-[4-[2-(naphthalen-1-ylamino)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774098

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
The IUPAC name of N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine (CID 67942524) is N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
The canonical SMILES for N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine is Clc1ccc2ncnc(NCCNCCNc3cccc4ccccc34)c2c1.
What is the InChIKey of N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
The InChIKey is QGJHBAKNDYZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c23-17-8-9-21-19(14-17)22(28-15-27-21)26-13-11-24-10-12-25-20-7-3-5-16-4-1-2-6-18(16)20/h1-9,14-15,24-25H,10-13H2,(H,26,27,28).
What are the key properties of N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine has a molecular weight of 391.91 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine is sourced from PubChem (CID 67942524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).