N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine

C18H14N4S — CID 91964418

IUPACN-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1cncc(CNc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C18H14N4S/c1-2-7-15-14(6-1)17(20-12-13-5-3-9-19-11-13)22-18(21-15)16-8-4-10-23-16/h1-11H,12H2,(H,20,21,22)
InChIKeyWWNREUSUKHHJNI-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.37
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine

N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 91964418) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID91964418
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC NameN-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1cncc(CNc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C18H14N4S/c1-2-7-15-14(6-1)17(20-12-13-5-3-9-19-11-13)22-18(21-15)16-8-4-10-23-16/h1-11H,12H2,(H,20,21,22)
InChIKeyWWNREUSUKHHJNI-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 91964577
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507160
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
piperidin-1-yl-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]methanone
CID 26448373
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 24590562
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
CID 142747580

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine (CID 91964418) is N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine is c1cncc(CNc2nc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is WWNREUSUKHHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-7-15-14(6-1)17(20-12-13-5-3-9-19-11-13)22-18(21-15)16-8-4-10-23-16/h1-11H,12H2,(H,20,21,22).
What are the key properties of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 91964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).