2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol

C13H10ClN3OS — CID 171561925

IUPAC2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
SMILESOc1cccc2c(NCc3cccs3)nc(Cl)nc12
InChIInChI=1S/C13H10ClN3OS/c14-13-16-11-9(4-1-5-10(11)18)12(17-13)15-7-8-3-2-6-19-8/h1-6,18H,7H2,(H,15,16,17)
InChIKeyUSPCUJNWGVSKLD-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol

2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol (PubChem CID 171561925) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol.

Molecular Properties

Compound Name2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
PubChem CID171561925
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
SMILESOc1cccc2c(NCc3cccs3)nc(Cl)nc12
InChIInChI=1S/C13H10ClN3OS/c14-13-16-11-9(4-1-5-10(11)18)12(17-13)15-7-8-3-2-6-19-8/h1-6,18H,7H2,(H,15,16,17)
InChIKeyUSPCUJNWGVSKLD-UHFFFAOYSA-N
XLogP3.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol
CID 171561808
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171561839
6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865848
1-(thiophen-2-ylmethylamino)isoquinoline-3-carboxylic acid
CID 43173683
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2,7-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170643685
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
CID 53257879

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol?
The IUPAC name of 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol (CID 171561925) is 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol.
What is the SMILES notation for 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol?
The canonical SMILES for 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol is Oc1cccc2c(NCc3cccs3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol?
The InChIKey is USPCUJNWGVSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-13-16-11-9(4-1-5-10(11)18)12(17-13)15-7-8-3-2-6-19-8/h1-6,18H,7H2,(H,15,16,17).
What are the key properties of 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol?
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol has a molecular weight of 291.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol is sourced from PubChem (CID 171561925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).