(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

C23H23FN4O2S — CID 92726001

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O
InChIInChI=1S/C23H23FN4O2S/c1-3-6-19-22(30)28-20(26-19)17-7-4-5-8-18(17)27-23(28)31-14(2)21(29)25-13-15-9-11-16(24)12-10-15/h4-5,7-12,14,19H,3,6,13H2,1-2H3,(H,25,29)/t14-,19-/m1/s1
InChIKeyVFIZKIHHBZCHIS-AUUYWEPGSA-N
MW438.53 g/mol
LogP4.02
Rot. Bonds6

About (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (PubChem CID 92726001) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
PubChem CID92726001
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O
InChIInChI=1S/C23H23FN4O2S/c1-3-6-19-22(30)28-20(26-19)17-7-4-5-8-18(17)27-23(28)31-14(2)21(29)25-13-15-9-11-16(24)12-10-15/h4-5,7-12,14,19H,3,6,13H2,1-2H3,(H,25,29)/t14-,19-/m1/s1
InChIKeyVFIZKIHHBZCHIS-AUUYWEPGSA-N
XLogP4.02
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.02
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
N-[(4-fluorophenyl)methyl]-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349453
N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 20965636
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46349516
(2S)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 92725973
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750924
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(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-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231
2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 92725871

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (CID 92726001) is (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NCc3ccc(F)cc3)N2C1=O.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The InChIKey is VFIZKIHHBZCHIS-AUUYWEPGSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-3-6-19-22(30)28-20(26-19)17-7-4-5-8-18(17)27-23(28)31-14(2)21(29)25-13-15-9-11-16(24)12-10-15/h4-5,7-12,14,19H,3,6,13H2,1-2H3,(H,25,29)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide has a molecular weight of 438.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is sourced from PubChem (CID 92726001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).