N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

C24H26N4O2S — CID 20965636

IUPACN-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCC(C)CC1N=C2c3ccccc3N=C(SC(C)C(=O)NCc3ccccc3)N2C1=O
InChIInChI=1S/C24H26N4O2S/c1-15(2)13-20-23(30)28-21(26-20)18-11-7-8-12-19(18)27-24(28)31-16(3)22(29)25-14-17-9-5-4-6-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,29)
InChIKeyYARSBQZAZBOGFN-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.13
Rot. Bonds6

About N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (PubChem CID 20965636) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
PubChem CID20965636
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCC(C)CC1N=C2c3ccccc3N=C(SC(C)C(=O)NCc3ccccc3)N2C1=O
InChIInChI=1S/C24H26N4O2S/c1-15(2)13-20-23(30)28-21(26-20)18-11-7-8-12-19(18)27-24(28)31-16(3)22(29)25-14-17-9-5-4-6-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,29)
InChIKeyYARSBQZAZBOGFN-UHFFFAOYSA-N
XLogP4.13
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725991
(2R)-N-benzyl-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725992
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46349516
(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92726001
(2S)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 92725973
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751087
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751084
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 3441649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The IUPAC name of N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (CID 20965636) is N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.
What is the SMILES notation for N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The canonical SMILES for N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is CC(C)CC1N=C2c3ccccc3N=C(SC(C)C(=O)NCc3ccccc3)N2C1=O.
What is the InChIKey of N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The InChIKey is YARSBQZAZBOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15(2)13-20-23(30)28-21(26-20)18-11-7-8-12-19(18)27-24(28)31-16(3)22(29)25-14-17-9-5-4-6-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,29).
What are the key properties of N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide has a molecular weight of 434.57 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is sourced from PubChem (CID 20965636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).