2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

C17H24N4OS — CID 69241562

IUPAC2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCCSc1nc(NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H24N4OS/c1-2-23-17-19-15-7-4-3-6-14(15)16(20-17)18-8-5-9-21-10-12-22-13-11-21/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,19,20)
InChIKeyUCKUJPCFSKRPTF-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.88
Rot. Bonds7

About 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 69241562) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID69241562
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCCSc1nc(NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H24N4OS/c1-2-23-17-19-15-7-4-3-6-14(15)16(20-17)18-8-5-9-21-10-12-22-13-11-21/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,19,20)
InChIKeyUCKUJPCFSKRPTF-UHFFFAOYSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
CID 2325577
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-(2-morpholin-4-ylethyl)-2-[2-(2-morpholin-4-ylethylamino)phenyl]quinazolin-4-amine
CID 59213424
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 20963288

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 69241562) is 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is CCSc1nc(NCCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is UCKUJPCFSKRPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-23-17-19-15-7-4-3-6-14(15)16(20-17)18-8-5-9-21-10-12-22-13-11-21/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,19,20).
What are the key properties of 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 69241562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).