N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide

C20H20FN3O2 — CID 17479671

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2nc3ccccc3c(=O)n2C)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-13-11-14(7-8-16(13)21)12-22-19(25)10-9-18-23-17-6-4-3-5-15(17)20(26)24(18)2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyRRGYQQZEKALROX-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.63
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (PubChem CID 17479671) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
PubChem CID17479671
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2nc3ccccc3c(=O)n2C)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-13-11-14(7-8-16(13)21)12-22-19(25)10-9-18-23-17-6-4-3-5-15(17)20(26)24(18)2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyRRGYQQZEKALROX-UHFFFAOYSA-N
XLogP2.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide (CID 17479671) is N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is Cc1cc(CNC(=O)CCc2nc3ccccc3c(=O)n2C)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
The InChIKey is RRGYQQZEKALROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-11-14(7-8-16(13)21)12-22-19(25)10-9-18-23-17-6-4-3-5-15(17)20(26)24(18)2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide is sourced from PubChem (CID 17479671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).