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

C25H21FN4O2S2 — CID 5183572

IUPAC3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1cccs1
InChIInChI=1S/C25H21FN4O2S2/c26-19-9-3-1-6-16(19)15-34-25-29-20-10-4-2-8-18(20)23-28-21(24(32)30(23)25)11-12-22(31)27-14-17-7-5-13-33-17/h1-10,13,21H,11-12,14-15H2,(H,27,31)
InChIKeyQNPZWHNXJTVPPF-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.88
Rot. Bonds7

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

3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 5183572) has the molecular formula C25H21FN4O2S2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID5183572
Molecular FormulaC25H21FN4O2S2
Molecular Weight492.60 g/mol
Exact Mass492.11
IUPAC Name3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1cccs1
InChIInChI=1S/C25H21FN4O2S2/c26-19-9-3-1-6-16(19)15-34-25-29-20-10-4-2-8-18(20)23-28-21(24(32)30(23)25)11-12-22(31)27-14-17-7-5-13-33-17/h1-10,13,21H,11-12,14-15H2,(H,27,31)
InChIKeyQNPZWHNXJTVPPF-UHFFFAOYSA-N
XLogP4.88
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 5193791
3-[(2S)-5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 98354961
(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
3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 163336811
2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 5074545
3-[(2S)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 98202861
N-benzyl-3-[5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 4277345
2-[5-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3325908
N-benzyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5019034
3-[(2S)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 92853799
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5159914
N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 4661511

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 5183572) is 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1cccs1.
What is the InChIKey of 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is QNPZWHNXJTVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S2/c26-19-9-3-1-6-16(19)15-34-25-29-20-10-4-2-8-18(20)23-28-21(24(32)30(23)25)11-12-22(31)27-14-17-7-5-13-33-17/h1-10,13,21H,11-12,14-15H2,(H,27,31).
What are the key properties of 3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 492.60 g/mol, XLogP of 4.88, 7 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]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 5183572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).