N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine

C24H25N5OS — CID 86898790

IUPACN-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)N2CCOCC2)s1
InChIInChI=1S/C24H25N5OS/c1-17-8-9-22(31-17)21(29-11-13-30-14-12-29)16-26-24-19-6-2-3-7-20(19)27-23(28-24)18-5-4-10-25-15-18/h2-10,15,21H,11-14,16H2,1H3,(H,26,27,28)
InChIKeyGDPCLQZOCYTRDI-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.55
Rot. Bonds6

About N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 86898790) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID86898790
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)N2CCOCC2)s1
InChIInChI=1S/C24H25N5OS/c1-17-8-9-22(31-17)21(29-11-13-30-14-12-29)16-26-24-19-6-2-3-7-20(19)27-23(28-24)18-5-4-10-25-15-18/h2-10,15,21H,11-14,16H2,1H3,(H,26,27,28)
InChIKeyGDPCLQZOCYTRDI-UHFFFAOYSA-N
XLogP4.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
CID 121378075
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2553407
1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 133323500
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9023704
(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 95751301

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 86898790) is N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine is Cc1ccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)N2CCOCC2)s1.
What is the InChIKey of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is GDPCLQZOCYTRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-17-8-9-22(31-17)21(29-11-13-30-14-12-29)16-26-24-19-6-2-3-7-20(19)27-23(28-24)18-5-4-10-25-15-18/h2-10,15,21H,11-14,16H2,1H3,(H,26,27,28).
What are the key properties of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 431.57 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 86898790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).