(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide

C25H28N4O4S — CID 92750999

IUPAC(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cc(OC)cc(OC)c3)N2C1=O
InChIInChI=1S/C25H28N4O4S/c1-6-14(2)21-24(31)29-22(28-21)19-9-7-8-10-20(19)27-25(29)34-15(3)23(30)26-16-11-17(32-4)13-18(12-16)33-5/h7-15,21H,6H2,1-5H3,(H,26,30)/t14-,15-,21+/m0/s1
InChIKeyLTVQNKBNTVSKPZ-VFCRVFHLSA-N
MW480.59 g/mol
LogP4.47
Rot. Bonds7

About (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide

(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 92750999) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID92750999
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cc(OC)cc(OC)c3)N2C1=O
InChIInChI=1S/C25H28N4O4S/c1-6-14(2)21-24(31)29-22(28-21)19-9-7-8-10-20(19)27-25(29)34-15(3)23(30)26-16-11-17(32-4)13-18(12-16)33-5/h7-15,21H,6H2,1-5H3,(H,26,30)/t14-,15-,21+/m0/s1
InChIKeyLTVQNKBNTVSKPZ-VFCRVFHLSA-N
XLogP4.47
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide with MolForge

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Related Compounds

(2R)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 98749404
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750924
N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 50798608
(2R)-N-(3,5-dimethoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751204
(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
CID 92751010
(2R)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
CID 98749394
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750776
(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
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750864
(2S)-N-(4-methoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751201
(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide (CID 92750999) is (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide is CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cc(OC)cc(OC)c3)N2C1=O.
What is the InChIKey of (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is LTVQNKBNTVSKPZ-VFCRVFHLSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-6-14(2)21-24(31)29-22(28-21)19-9-7-8-10-20(19)27-25(29)34-15(3)23(30)26-16-11-17(32-4)13-18(12-16)33-5/h7-15,21H,6H2,1-5H3,(H,26,30)/t14-,15-,21+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide?
(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 480.59 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 92750999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).