2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C20H17N3OS — CID 3235187

IUPAC2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C20H17N3OS/c1-24-15-7-4-6-14(12-15)19-22-18-10-3-2-9-17(18)20(23-19)21-13-16-8-5-11-25-16/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyIDUBOPZDRZZEQL-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.98
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3235187) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3235187
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C20H17N3OS/c1-24-15-7-4-6-14(12-15)19-22-18-10-3-2-9-17(18)20(23-19)21-13-16-8-5-11-25-16/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyIDUBOPZDRZZEQL-UHFFFAOYSA-N
XLogP4.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3232621
CP-31398
CID 9950868
Bay-293
CID 137322663
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N-[4-(benzenesulfonyl)phenyl]-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329491
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 9927967
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)quinazolin-2-amine hydrochloride
CID 6602960
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442095
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
N-(4-methoxyphenyl)-2-(thiophen-2-yl)quinazolin-4-amine
CID 2473040

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3235187) is 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1cccc(-c2nc(NCc3cccs3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is IDUBOPZDRZZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-15-7-4-6-14(12-15)19-22-18-10-3-2-9-17(18)20(23-19)21-13-16-8-5-11-25-16/h2-12H,13H2,1H3,(H,21,22,23).
What are the key properties of 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3235187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).