N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

C23H25FN4O2S — CID 24585269

IUPACN-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(CN3CCOCC3)nc3ccccc23)cc1F
InChIInChI=1S/C23H25FN4O2S/c1-15-7-8-17(13-19(15)24)25-22(29)16(2)31-23-18-5-3-4-6-20(18)26-21(27-23)14-28-9-11-30-12-10-28/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyKUASTPOZHKJHTC-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.03
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide (PubChem CID 24585269) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
PubChem CID24585269
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(CN3CCOCC3)nc3ccccc23)cc1F
InChIInChI=1S/C23H25FN4O2S/c1-15-7-8-17(13-19(15)24)25-22(29)16(2)31-23-18-5-3-4-6-20(18)26-21(27-23)14-28-9-11-30-12-10-28/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyKUASTPOZHKJHTC-UHFFFAOYSA-N
XLogP4.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30239510
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55497939
N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739
N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide
CID 24585309
N-[2-(difluoromethoxy)phenyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24585275
N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 46678835
N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46679027
1-(4-chlorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 16581408
N-(2-chloro-5-nitrophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 55490611
(2R)-1-(4-benzylpiperidin-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 30091571
1-(1H-indol-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 42929503
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide (CID 24585269) is N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide is Cc1ccc(NC(=O)C(C)Sc2nc(CN3CCOCC3)nc3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
The InChIKey is KUASTPOZHKJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c1-15-7-8-17(13-19(15)24)25-22(29)16(2)31-23-18-5-3-4-6-20(18)26-21(27-23)14-28-9-11-30-12-10-28/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide has a molecular weight of 440.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide is sourced from PubChem (CID 24585269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).