N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide

C20H19F2N3O2 — CID 53159174

IUPACN-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide
SMILESCc1cccc2c(=O)n(C)c(CCC(=O)NCc3cc(F)ccc3F)nc12
InChIInChI=1S/C20H19F2N3O2/c1-12-4-3-5-15-19(12)24-17(25(2)20(15)27)8-9-18(26)23-11-13-10-14(21)6-7-16(13)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,26)
InChIKeyIJSKWKBPAPHTFD-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.77
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide

N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide (PubChem CID 53159174) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide
PubChem CID53159174
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide
SMILESCc1cccc2c(=O)n(C)c(CCC(=O)NCc3cc(F)ccc3F)nc12
InChIInChI=1S/C20H19F2N3O2/c1-12-4-3-5-15-19(12)24-17(25(2)20(15)27)8-9-18(26)23-11-13-10-14(21)6-7-16(13)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,26)
InChIKeyIJSKWKBPAPHTFD-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide (CID 53159174) is N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide is Cc1cccc2c(=O)n(C)c(CCC(=O)NCc3cc(F)ccc3F)nc12.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide?
The InChIKey is IJSKWKBPAPHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12-4-3-5-15-19(12)24-17(25(2)20(15)27)8-9-18(26)23-11-13-10-14(21)6-7-16(13)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,26).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide?
N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide has a molecular weight of 371.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-(3,8-dimethyl-4-oxoquinazolin-2-yl)propanamide is sourced from PubChem (CID 53159174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).