1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone

C18H17N3O3S — CID 38991640

IUPAC1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
SMILESCCNc1nc(SCC(=O)c2ccc(O)cc2O)nc2ccccc12
InChIInChI=1S/C18H17N3O3S/c1-2-19-17-12-5-3-4-6-14(12)20-18(21-17)25-10-16(24)13-8-7-11(22)9-15(13)23/h3-9,22-23H,2,10H2,1H3,(H,19,20,21)
InChIKeyGHLNPLQOZQPNBP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.45
Rot. Bonds6

About 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone

1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone (PubChem CID 38991640) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
PubChem CID38991640
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
SMILESCCNc1nc(SCC(=O)c2ccc(O)cc2O)nc2ccccc12
InChIInChI=1S/C18H17N3O3S/c1-2-19-17-12-5-3-4-6-14(12)20-18(21-17)25-10-16(24)13-8-7-11(22)9-15(13)23/h3-9,22-23H,2,10H2,1H3,(H,19,20,21)
InChIKeyGHLNPLQOZQPNBP-UHFFFAOYSA-N
XLogP3.45
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 56521465
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18275768
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 40766769
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
CID 154837193
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108318
(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108470
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 17415616

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone (CID 38991640) is 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone is CCNc1nc(SCC(=O)c2ccc(O)cc2O)nc2ccccc12.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone?
The InChIKey is GHLNPLQOZQPNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-19-17-12-5-3-4-6-14(12)20-18(21-17)25-10-16(24)13-8-7-11(22)9-15(13)23/h3-9,22-23H,2,10H2,1H3,(H,19,20,21).
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone?
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone has a molecular weight of 355.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone is sourced from PubChem (CID 38991640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).