ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate

C24H24N4O5S — CID 3241634

IUPACethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
SMILESCCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N12
InChIInChI=1S/C24H24N4O5S/c1-3-33-21(30)14-34-24-27-18-7-5-4-6-17(18)22-26-19(23(31)28(22)24)12-20(29)25-13-15-8-10-16(32-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3,(H,25,29)
InChIKeySACVSQVNSVQEAE-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.66
Rot. Bonds8

About ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate

ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate (PubChem CID 3241634) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
PubChem CID3241634
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Nameethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
SMILESCCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N12
InChIInChI=1S/C24H24N4O5S/c1-3-33-21(30)14-34-24-27-18-7-5-4-6-17(18)22-26-19(23(31)28(22)24)12-20(29)25-13-15-8-10-16(32-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3,(H,25,29)
InChIKeySACVSQVNSVQEAE-UHFFFAOYSA-N
XLogP2.66
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate (CID 3241634) is ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate is CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N12.
What is the InChIKey of ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate?
The InChIKey is SACVSQVNSVQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-3-33-21(30)14-34-24-27-18-7-5-4-6-17(18)22-26-19(23(31)28(22)24)12-20(29)25-13-15-8-10-16(32-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3,(H,25,29).
What are the key properties of ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate?
ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate has a molecular weight of 480.55 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate is sourced from PubChem (CID 3241634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).