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

C20H17N3OS — CID 3232651

IUPAC2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H17N3OS/c1-24-18-11-5-3-9-16(18)20-22-17-10-4-2-8-15(17)19(23-20)21-13-14-7-6-12-25-14/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyPSIXJUPVCCEAQP-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.98
Rot. Bonds5

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

2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3232651) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3232651
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H17N3OS/c1-24-18-11-5-3-9-16(18)20-22-17-10-4-2-8-15(17)19(23-20)21-13-14-7-6-12-25-14/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyPSIXJUPVCCEAQP-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

CP-31398
CID 9950868
Bay-293
CID 137322663
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 9927967
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
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
N-(4-methoxyphenyl)-2-(thiophen-2-yl)quinazolin-4-amine
CID 2473040
(1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclopentane-1,3-diamine
CID 9999058
N*2*-(4-Methoxy-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10474673
(1S,3S)-N1-(6-fluoro-4-methoxyquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 11165058
(1R,2S,4S,6S)-N-(6-methoxy-4-methylquinolin-2-yl)-N'-(3-thienylmethyl)bicyclo[2.2.1]heptane-2,6-diamine
CID 11246373
(1S,2S,4R,6S)-N-(6-methoxy-4-methylquinolin-2-yl)-N'-(3-thienylmethyl)bicyclo[2.2.1]heptane-2,6-diamine
CID 11292322

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3232651) is 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is PSIXJUPVCCEAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-18-11-5-3-9-16(18)20-22-17-10-4-2-8-15(17)19(23-20)21-13-14-7-6-12-25-14/h2-12H,13H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(2-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-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3232651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).