N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide

C24H23FN4O2S — CID 42809643

IUPACN-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1cccc(F)c1)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H23FN4O2S/c1-31-14-13-29(12-11-22(30)26-18-7-4-6-17(25)16-18)24-19-8-2-3-9-20(19)27-23(28-24)21-10-5-15-32-21/h2-10,15-16H,11-14H2,1H3,(H,26,30)
InChIKeyCVVHUFBMVGMJCP-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.98
Rot. Bonds9

About N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide

N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide (PubChem CID 42809643) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
PubChem CID42809643
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1cccc(F)c1)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H23FN4O2S/c1-31-14-13-29(12-11-22(30)26-18-7-4-6-17(25)16-18)24-19-8-2-3-9-20(19)27-23(28-24)21-10-5-15-32-21/h2-10,15-16H,11-14H2,1H3,(H,26,30)
InChIKeyCVVHUFBMVGMJCP-UHFFFAOYSA-N
XLogP4.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 42809565
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2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 17447593
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one
CID 42809633
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide
CID 83281449
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N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
CID 133313174
3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
CID 24718255
N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide
CID 109015628
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide (CID 42809643) is N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide is COCCN(CCC(=O)Nc1cccc(F)c1)c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
The InChIKey is CVVHUFBMVGMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-31-14-13-29(12-11-22(30)26-18-7-4-6-17(25)16-18)24-19-8-2-3-9-20(19)27-23(28-24)21-10-5-15-32-21/h2-10,15-16H,11-14H2,1H3,(H,26,30).
What are the key properties of N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide has a molecular weight of 450.54 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 42809643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).