N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C19H17F2N3O2 — CID 55847584

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H17F2N3O2/c1-12(9-14-15(20)6-4-7-16(14)21)23-18(25)10-24-11-22-17-8-3-2-5-13(17)19(24)26/h2-8,11-12H,9-10H2,1H3,(H,23,25)
InChIKeyCFBRVNPTEJAHSC-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 55847584) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID55847584
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H17F2N3O2/c1-12(9-14-15(20)6-4-7-16(14)21)23-18(25)10-24-11-22-17-8-3-2-5-13(17)19(24)26/h2-8,11-12H,9-10H2,1H3,(H,23,25)
InChIKeyCFBRVNPTEJAHSC-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9468840

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 55847584) is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CC(Cc1c(F)cccc1F)NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is CFBRVNPTEJAHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-12(9-14-15(20)6-4-7-16(14)21)23-18(25)10-24-11-22-17-8-3-2-5-13(17)19(24)26/h2-8,11-12H,9-10H2,1H3,(H,23,25).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 357.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55847584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).