2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine

C21H18ClN3OS — CID 91964581

IUPAC2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cccc(CCNc2nc(-c3sccc3Cl)nc3ccccc23)c1
InChIInChI=1S/C21H18ClN3OS/c1-26-15-6-4-5-14(13-15)9-11-23-20-16-7-2-3-8-18(16)24-21(25-20)19-17(22)10-12-27-19/h2-8,10,12-13H,9,11H2,1H3,(H,23,24,25)
InChIKeyMIDIJISYCYEABQ-UHFFFAOYSA-N
MW395.92 g/mol
LogP5.67
Rot. Bonds6

About 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine

2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 91964581) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
PubChem CID91964581
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cccc(CCNc2nc(-c3sccc3Cl)nc3ccccc23)c1
InChIInChI=1S/C21H18ClN3OS/c1-26-15-6-4-5-14(13-15)9-11-23-20-16-7-2-3-8-18(16)24-21(25-20)19-17(22)10-12-27-19/h2-8,10,12-13H,9,11H2,1H3,(H,23,24,25)
InChIKeyMIDIJISYCYEABQ-UHFFFAOYSA-N
XLogP5.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.92
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 91964583
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585
2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine
CID 91964516
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 91964577
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964296
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine (CID 91964581) is 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine is COc1cccc(CCNc2nc(-c3sccc3Cl)nc3ccccc23)c1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is MIDIJISYCYEABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c1-26-15-6-4-5-14(13-15)9-11-23-20-16-7-2-3-8-18(16)24-21(25-20)19-17(22)10-12-27-19/h2-8,10,12-13H,9,11H2,1H3,(H,23,24,25).
What are the key properties of 2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 395.92 g/mol, XLogP of 5.67, 6 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-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 91964581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).