(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

C24H26N4O2S — CID 92750882

IUPAC(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O
InChIInChI=1S/C24H26N4O2S/c1-4-8-19-23(30)28-21(26-19)17-9-6-7-10-18(17)27-24(28)31-20(5-2)22(29)25-16-13-11-15(3)12-14-16/h6-7,9-14,19-20H,4-5,8H2,1-3H3,(H,25,29)/t19-,20+/m0/s1
InChIKeyPIARNOIHFZJCTC-VQTJNVASSA-N
MW434.57 g/mol
LogP4.90
Rot. Bonds6

About (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 92750882) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
PubChem CID92750882
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O
InChIInChI=1S/C24H26N4O2S/c1-4-8-19-23(30)28-21(26-19)17-9-6-7-10-18(17)27-24(28)31-20(5-2)22(29)25-16-13-11-15(3)12-14-16/h6-7,9-14,19-20H,4-5,8H2,1-3H3,(H,25,29)/t19-,20+/m0/s1
InChIKeyPIARNOIHFZJCTC-VQTJNVASSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750884
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751047
(2R)-2-[[(2R)-2-[3-(butylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
CID 92694487
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 92751122
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98186772
N-(4-ethylphenyl)-2-[[3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 46506349
(2R)-2-[[(2S)-2-[3-(benzylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
CID 98354409
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98359220
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357182
(2R)-N-(4-ethylphenyl)-2-[[(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (CID 92750882) is (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The InChIKey is PIARNOIHFZJCTC-VQTJNVASSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-4-8-19-23(30)28-21(26-19)17-9-6-7-10-18(17)27-24(28)31-20(5-2)22(29)25-16-13-11-15(3)12-14-16/h6-7,9-14,19-20H,4-5,8H2,1-3H3,(H,25,29)/t19-,20+/m0/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 434.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 92750882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).