3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C28H25FN4O3S — CID 163337018

IUPAC3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCC1C(=O)N=C2c3ccccc3N=C(SCc3ccccc3F)N21
InChIInChI=1S/C28H25FN4O3S/c1-36-24-13-7-3-8-18(24)16-30-25(34)15-14-23-27(35)32-26-20-10-4-6-12-22(20)31-28(33(23)26)37-17-19-9-2-5-11-21(19)29/h2-13,23H,14-17H2,1H3,(H,30,34)
InChIKeyRBZLMLGFBQVYLA-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.82
Rot. Bonds8

About 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 163337018) has the molecular formula C28H25FN4O3S and a molecular weight of 516.60 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID163337018
Molecular FormulaC28H25FN4O3S
Molecular Weight516.60 g/mol
Exact Mass516.16
IUPAC Name3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCC1C(=O)N=C2c3ccccc3N=C(SCc3ccccc3F)N21
InChIInChI=1S/C28H25FN4O3S/c1-36-24-13-7-3-8-18(24)16-30-25(34)15-14-23-27(35)32-26-20-10-4-6-12-22(20)31-28(33(23)26)37-17-19-9-2-5-11-21(19)29/h2-13,23H,14-17H2,1H3,(H,30,34)
InChIKeyRBZLMLGFBQVYLA-UHFFFAOYSA-N
XLogP4.82
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 163337592
N-[(2-methoxyphenyl)methyl]-3-[5-[(4-nitrophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163335740
N-[(2-methoxyphenyl)methyl]-3-[2-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163336329
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163335837
N-butyl-3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163337628
3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 163337089
3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 163336811
N-benzyl-3-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 163337016
N-benzyl-3-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156610999
3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 163337413
N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163335889
2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 156610875

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 163337018) is 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCC1C(=O)N=C2c3ccccc3N=C(SCc3ccccc3F)N21.
What is the InChIKey of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is RBZLMLGFBQVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3S/c1-36-24-13-7-3-8-18(24)16-30-25(34)15-14-23-27(35)32-26-20-10-4-6-12-22(20)31-28(33(23)26)37-17-19-9-2-5-11-21(19)29/h2-13,23H,14-17H2,1H3,(H,30,34).
What are the key properties of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 516.60 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 163337018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).