2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C27H26N4O2S — CID 46377247

IUPAC2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C27H26N4O2S/c1-18-11-12-24(33-2)23(15-18)28-25(32)17-34-26-21-9-5-6-10-22(21)29-27(30-26)31-14-13-19-7-3-4-8-20(19)16-31/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)
InChIKeySWWMGIVTSPALNJ-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.24
Rot. Bonds6

About 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 46377247) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID46377247
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C27H26N4O2S/c1-18-11-12-24(33-2)23(15-18)28-25(32)17-34-26-21-9-5-6-10-22(21)29-27(30-26)31-14-13-19-7-3-4-8-20(19)16-31/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)
InChIKeySWWMGIVTSPALNJ-UHFFFAOYSA-N
XLogP5.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46377230
methyl 2-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate
CID 45498985
N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 16507527
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1383033
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9077881
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 46377247) is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1nc(N2CCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is SWWMGIVTSPALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-11-12-24(33-2)23(15-18)28-25(32)17-34-26-21-9-5-6-10-22(21)29-27(30-26)31-14-13-19-7-3-4-8-20(19)16-31/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32).
What are the key properties of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 470.60 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 46377247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).