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

C27H27N5O2S — CID 4595585

IUPACN-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12)NC1CCCCC1
InChIInChI=1S/C27H27N5O2S/c33-24(29-18-8-2-1-3-9-18)16-35-27-31-22-13-7-5-11-20(22)25-30-23(26(34)32(25)27)14-17-15-28-21-12-6-4-10-19(17)21/h4-7,10-13,15,18,23,28H,1-3,8-9,14,16H2,(H,29,33)
InChIKeyMCULVNWTQVNKQQ-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.55
Rot. Bonds5

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

N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 4595585) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID4595585
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC NameN-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12)NC1CCCCC1
InChIInChI=1S/C27H27N5O2S/c33-24(29-18-8-2-1-3-9-18)16-35-27-31-22-13-7-5-11-20(22)25-30-23(26(34)32(25)27)14-17-15-28-21-12-6-4-10-19(17)21/h4-7,10-13,15,18,23,28H,1-3,8-9,14,16H2,(H,29,33)
InChIKeyMCULVNWTQVNKQQ-UHFFFAOYSA-N
XLogP4.55
TPSA89.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 4595585) is N-cyclohexyl-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-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is O=C(CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is MCULVNWTQVNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c33-24(29-18-8-2-1-3-9-18)16-35-27-31-22-13-7-5-11-20(22)25-30-23(26(34)32(25)27)14-17-15-28-21-12-6-4-10-19(17)21/h4-7,10-13,15,18,23,28H,1-3,8-9,14,16H2,(H,29,33).
What are the key properties of N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 485.61 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4595585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).