6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C20H17N3OS — CID 3235398

IUPAC6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1
InChIInChI=1S/C20H17N3OS/c1-24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyACIBITXFBJEMDM-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.98
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3235398) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3235398
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1
InChIInChI=1S/C20H17N3OS/c1-24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyACIBITXFBJEMDM-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
Bay-293
CID 137322663
6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4-yl)methyl)quinazolin-4-amine
CID 44223952
6-Thiazolylquinazoline 2
CID 5329476
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 9927967
6-(2-Methoxyphenyl)-4-quinazolinamine
CID 90054621
6-(3-Methoxyphenyl)quinazolin-4-amine
CID 90054634
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442095
N-(4-methoxyphenyl)-2-(thiophen-2-yl)quinazolin-4-amine
CID 2473040
6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3234753
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 3234850
(1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclopentane-1,3-diamine
CID 9999058

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3235398) is 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is ACIBITXFBJEMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,22,23).
What are the key properties of 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-(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 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3235398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).