N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine

C19H19N3OS — CID 174199141

IUPACN-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine
SMILESCOc1ccc2c(NCc3cccc4c3CCS4)nc(C)nc2c1
InChIInChI=1S/C19H19N3OS/c1-12-21-17-10-14(23-2)6-7-16(17)19(22-12)20-11-13-4-3-5-18-15(13)8-9-24-18/h3-7,10H,8-9,11H2,1-2H3,(H,20,21,22)
InChIKeyLJPQKLPRTFZJSI-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.21
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine

N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine (PubChem CID 174199141) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine
PubChem CID174199141
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine
SMILESCOc1ccc2c(NCc3cccc4c3CCS4)nc(C)nc2c1
InChIInChI=1S/C19H19N3OS/c1-12-21-17-10-14(23-2)6-7-16(17)19(22-12)20-11-13-4-3-5-18-15(13)8-9-24-18/h3-7,10H,8-9,11H2,1-2H3,(H,20,21,22)
InChIKeyLJPQKLPRTFZJSI-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine (CID 174199141) is N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine is COc1ccc2c(NCc3cccc4c3CCS4)nc(C)nc2c1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine?
The InChIKey is LJPQKLPRTFZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-21-17-10-14(23-2)6-7-16(17)19(22-12)20-11-13-4-3-5-18-15(13)8-9-24-18/h3-7,10H,8-9,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine?
N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 174199141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).