N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C25H25N5O2S — CID 3245588

IUPACN,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12
InChIInChI=1S/C25H25N5O2S/c1-3-29(4-2)22(31)15-33-25-28-20-12-8-6-10-18(20)23-27-21(24(32)30(23)25)13-16-14-26-19-11-7-5-9-17(16)19/h5-12,14,21,26H,3-4,13,15H2,1-2H3
InChIKeyDJYOLHNWBSQVHU-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.97
Rot. Bonds6

About N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 3245588) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID3245588
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC NameN,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12
InChIInChI=1S/C25H25N5O2S/c1-3-29(4-2)22(31)15-33-25-28-20-12-8-6-10-18(20)23-27-21(24(32)30(23)25)13-16-14-26-19-11-7-5-9-17(16)19/h5-12,14,21,26H,3-4,13,15H2,1-2H3
InChIKeyDJYOLHNWBSQVHU-UHFFFAOYSA-N
XLogP3.97
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 3245588) is N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12.
What is the InChIKey of N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is DJYOLHNWBSQVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-3-29(4-2)22(31)15-33-25-28-20-12-8-6-10-18(20)23-27-21(24(32)30(23)25)13-16-14-26-19-11-7-5-9-17(16)19/h5-12,14,21,26H,3-4,13,15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 459.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 3245588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).