2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C18H13ClN4S — CID 91964577

IUPAC2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESClc1ccsc1-c1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C18H13ClN4S/c19-14-7-9-24-16(14)18-22-15-6-2-1-5-13(15)17(23-18)21-11-12-4-3-8-20-10-12/h1-10H,11H2,(H,21,22,23)
InChIKeyMHRYQJLMONWGCJ-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.02
Rot. Bonds4

About 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 91964577) has the molecular formula C18H13ClN4S and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID91964577
Molecular FormulaC18H13ClN4S
Molecular Weight352.85 g/mol
Exact Mass352.05
IUPAC Name2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESClc1ccsc1-c1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C18H13ClN4S/c19-14-7-9-24-16(14)18-22-15-6-2-1-5-13(15)17(23-18)21-11-12-4-3-8-20-10-12/h1-10H,11H2,(H,21,22,23)
InChIKeyMHRYQJLMONWGCJ-UHFFFAOYSA-N
XLogP5.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
CID 91964581
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 91964583
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 53012958
4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
CID 142747580
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
2-chloro-N-(pyridin-3-ylmethyl)thiophen-3-amine
CID 130653950

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 91964577) is 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is Clc1ccsc1-c1nc(NCc2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is MHRYQJLMONWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4S/c19-14-7-9-24-16(14)18-22-15-6-2-1-5-13(15)17(23-18)21-11-12-4-3-8-20-10-12/h1-10H,11H2,(H,21,22,23).
What are the key properties of 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 352.85 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 91964577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).