N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine

C19H22N4OS — CID 133386447

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
SMILESCC(Nc1nc(-c2cccs2)nc2ccccc12)C1CN(C)CCO1
InChIInChI=1S/C19H22N4OS/c1-13(16-12-23(2)9-10-24-16)20-18-14-6-3-4-7-15(14)21-19(22-18)17-8-5-11-25-17/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,20,21,22)
InChIKeySBPYTKCKRHIHDY-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine

N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 133386447) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
PubChem CID133386447
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
SMILESCC(Nc1nc(-c2cccs2)nc2ccccc12)C1CN(C)CCO1
InChIInChI=1S/C19H22N4OS/c1-13(16-12-23(2)9-10-24-16)20-18-14-6-3-4-7-15(14)21-19(22-18)17-8-5-11-25-17/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,20,21,22)
InChIKeySBPYTKCKRHIHDY-UHFFFAOYSA-N
XLogP3.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 42950794
1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
CID 47092340
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 4827480
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
3-methyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]pentanoic acid
CID 91964442
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508292
2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133386451
2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133281392
N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133386569
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79826726

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine (CID 133386447) is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine is CC(Nc1nc(-c2cccs2)nc2ccccc12)C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is SBPYTKCKRHIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13(16-12-23(2)9-10-24-16)20-18-14-6-3-4-7-15(14)21-19(22-18)17-8-5-11-25-17/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine?
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 133386447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).