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

C22H20ClN3O2S — CID 91964583

IUPAC2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3sccc3Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C22H20ClN3O2S/c1-27-18-8-7-14(13-19(18)28-2)9-11-24-21-15-5-3-4-6-17(15)25-22(26-21)20-16(23)10-12-29-20/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,25,26)
InChIKeyWCOQPBAEHGPPAL-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.68
Rot. Bonds7

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

2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 91964583) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
PubChem CID91964583
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3sccc3Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C22H20ClN3O2S/c1-27-18-8-7-14(13-19(18)28-2)9-11-24-21-15-5-3-4-6-17(15)25-22(26-21)20-16(23)10-12-29-20/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,25,26)
InChIKeyWCOQPBAEHGPPAL-UHFFFAOYSA-N
XLogP5.68
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
CID 91964581
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964296
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-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 91964577
ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate
CID 3592298
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328873
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline
CID 23735721

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine (CID 91964583) is 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine is COc1ccc(CCNc2nc(-c3sccc3Cl)nc3ccccc23)cc1OC.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is WCOQPBAEHGPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-27-18-8-7-14(13-19(18)28-2)9-11-24-21-15-5-3-4-6-17(15)25-22(26-21)20-16(23)10-12-29-20/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 425.94 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 91964583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).