6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione

C19H19F2N3O3 — CID 167246320

IUPAC6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione
SMILESCn1c(=O)c2cc(Cc3ccc(F)cc3F)c(NCCO)cc2n(C)c1=O
InChIInChI=1S/C19H19F2N3O3/c1-23-17-10-16(22-5-6-25)12(7-11-3-4-13(20)9-15(11)21)8-14(17)18(26)24(2)19(23)27/h3-4,8-10,22,25H,5-7H2,1-2H3
InChIKeyNSPRBLZGEQBUNN-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.51
Rot. Bonds5

About 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione

6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione (PubChem CID 167246320) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione
PubChem CID167246320
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione
SMILESCn1c(=O)c2cc(Cc3ccc(F)cc3F)c(NCCO)cc2n(C)c1=O
InChIInChI=1S/C19H19F2N3O3/c1-23-17-10-16(22-5-6-25)12(7-11-3-4-13(20)9-15(11)21)8-14(17)18(26)24(2)19(23)27/h3-4,8-10,22,25H,5-7H2,1-2H3
InChIKeyNSPRBLZGEQBUNN-UHFFFAOYSA-N
XLogP1.51
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione (CID 167246320) is 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione is Cn1c(=O)c2cc(Cc3ccc(F)cc3F)c(NCCO)cc2n(C)c1=O.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione?
The InChIKey is NSPRBLZGEQBUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-23-17-10-16(22-5-6-25)12(7-11-3-4-13(20)9-15(11)21)8-14(17)18(26)24(2)19(23)27/h3-4,8-10,22,25H,5-7H2,1-2H3.
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione?
6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione has a molecular weight of 375.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione is sourced from PubChem (CID 167246320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).