7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione

C25H16F2N2O2 — CID 175627281

IUPAC7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccccc3C(F)F)ccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C25H16F2N2O2/c26-23(27)19-10-4-3-8-17(19)16-12-13-20-21(14-16)28-25(31)29(24(20)30)22-11-5-7-15-6-1-2-9-18(15)22/h1-14,23H,(H,28,31)
InChIKeyBYLCCWIXWQLHJX-UHFFFAOYSA-N
MW414.41 g/mol
LogP5.44
Rot. Bonds3

About 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione

7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione (PubChem CID 175627281) has the molecular formula C25H16F2N2O2 and a molecular weight of 414.41 g/mol. Its IUPAC name is 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
PubChem CID175627281
Molecular FormulaC25H16F2N2O2
Molecular Weight414.41 g/mol
Exact Mass414.12
IUPAC Name7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccccc3C(F)F)ccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C25H16F2N2O2/c26-23(27)19-10-4-3-8-17(19)16-12-13-20-21(14-16)28-25(31)29(24(20)30)22-11-5-7-15-6-1-2-9-18(15)22/h1-14,23H,(H,28,31)
InChIKeyBYLCCWIXWQLHJX-UHFFFAOYSA-N
XLogP5.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione (CID 175627281) is 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3ccccc3C(F)F)ccc2c(=O)n1-c1cccc2ccccc12.
What is the InChIKey of 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The InChIKey is BYLCCWIXWQLHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N2O2/c26-23(27)19-10-4-3-8-17(19)16-12-13-20-21(14-16)28-25(31)29(24(20)30)22-11-5-7-15-6-1-2-9-18(15)22/h1-14,23H,(H,28,31).
What are the key properties of 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione has a molecular weight of 414.41 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 175627281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).