2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C20H19N3O2S — CID 1435052

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-25-15-10-8-14(9-11-15)21-18(24)12-26-20-16-4-2-3-5-17(16)22-19(23-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,24)
InChIKeyVTLLKQKVAMJCSL-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.25
Rot. Bonds6

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1435052) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID1435052
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-25-15-10-8-14(9-11-15)21-18(24)12-26-20-16-4-2-3-5-17(16)22-19(23-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,24)
InChIKeyVTLLKQKVAMJCSL-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
N-(4-methoxyphenyl)-2-(thiophen-2-yl)quinazolin-4-amine
CID 2473040
(6-Acetamido-2-methyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methylamine
CID 11580844
2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-6-{[(4-methylphenyl)thio]methyl}-4(1H)-pyrimidinone
CID 135433342
4-{[2-(4-Methoxyphenoxy)ethyl]sulfanyl}-2-methylquinazoline
CID 608986
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide
CID 134433608
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011
6-Methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
2-(Benzylthio)-6-methoxy-4-methylquinazoline
CID 897291
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 1442414
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 1442514

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 1435052) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is VTLLKQKVAMJCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-25-15-10-8-14(9-11-15)21-18(24)12-26-20-16-4-2-3-5-17(16)22-19(23-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,24).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1435052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).