6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine

C18H19ClN4OS — CID 138988713

IUPAC6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine
SMILESClc1ccc2ncnc(NCC(c3ccsc3)N3CCOCC3)c2c1
InChIInChI=1S/C18H19ClN4OS/c19-14-1-2-16-15(9-14)18(22-12-21-16)20-10-17(13-3-8-25-11-13)23-4-6-24-7-5-23/h1-3,8-9,11-12,17H,4-7,10H2,(H,20,21,22)
InChIKeyBMYMZRPLUJOXBR-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.83
Rot. Bonds5

About 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine

6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine (PubChem CID 138988713) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine
PubChem CID138988713
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine
SMILESClc1ccc2ncnc(NCC(c3ccsc3)N3CCOCC3)c2c1
InChIInChI=1S/C18H19ClN4OS/c19-14-1-2-16-15(9-14)18(22-12-21-16)20-10-17(13-3-8-25-11-13)23-4-6-24-7-5-23/h1-3,8-9,11-12,17H,4-7,10H2,(H,20,21,22)
InChIKeyBMYMZRPLUJOXBR-UHFFFAOYSA-N
XLogP3.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine (CID 138988713) is 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine is Clc1ccc2ncnc(NCC(c3ccsc3)N3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine?
The InChIKey is BMYMZRPLUJOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-14-1-2-16-15(9-14)18(22-12-21-16)20-10-17(13-3-8-25-11-13)23-4-6-24-7-5-23/h1-3,8-9,11-12,17H,4-7,10H2,(H,20,21,22).
What are the key properties of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine?
6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine has a molecular weight of 374.90 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 138988713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).