N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C18H15F2N3O2 — CID 75489122

IUPACN-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H15F2N3O2/c19-14-5-3-6-15(20)13(14)10-21-17(24)8-9-23-11-22-16-7-2-1-4-12(16)18(23)25/h1-7,11H,8-10H2,(H,21,24)
InChIKeyUTDAIPFNIZKXIT-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.38
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 75489122) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID75489122
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H15F2N3O2/c19-14-5-3-6-15(20)13(14)10-21-17(24)8-9-23-11-22-16-7-2-1-4-12(16)18(23)25/h1-7,11H,8-10H2,(H,21,24)
InChIKeyUTDAIPFNIZKXIT-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 126788538
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 75489122) is N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is UTDAIPFNIZKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-14-5-3-6-15(20)13(14)10-21-17(24)8-9-23-11-22-16-7-2-1-4-12(16)18(23)25/h1-7,11H,8-10H2,(H,21,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 343.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 75489122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).