(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide

C22H22N4O2S — CID 92750956

IUPAC(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
SMILESCCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3)N2C1=O
InChIInChI=1S/C22H22N4O2S/c1-3-9-18-21(28)26-19(24-18)16-12-7-8-13-17(16)25-22(26)29-14(2)20(27)23-15-10-5-4-6-11-15/h4-8,10-14,18H,3,9H2,1-2H3,(H,23,27)/t14-,18-/m0/s1
InChIKeySRLKXMKAYZKRBE-KSSFIOAISA-N
MW406.51 g/mol
LogP4.21
Rot. Bonds5

About (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide

(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 92750956) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
PubChem CID92750956
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
SMILESCCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3)N2C1=O
InChIInChI=1S/C22H22N4O2S/c1-3-9-18-21(28)26-19(24-18)16-12-7-8-13-17(16)25-22(26)29-14(2)20(27)23-15-10-5-4-6-11-15/h4-8,10-14,18H,3,9H2,1-2H3,(H,23,27)/t14-,18-/m0/s1
InChIKeySRLKXMKAYZKRBE-KSSFIOAISA-N
XLogP4.21
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750924
(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
(2R)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 98749404
(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750882
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92726001
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751087
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide (CID 92750956) is (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide is CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3)N2C1=O.
What is the InChIKey of (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is SRLKXMKAYZKRBE-KSSFIOAISA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-3-9-18-21(28)26-19(24-18)16-12-7-8-13-17(16)25-22(26)29-14(2)20(27)23-15-10-5-4-6-11-15/h4-8,10-14,18H,3,9H2,1-2H3,(H,23,27)/t14-,18-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide?
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 406.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 92750956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).