2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C19H20F2N4O2 — CID 135674307

IUPAC2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C19H20F2N4O2/c20-14-6-5-12(11-15(14)21)18(27)24-7-9-25(10-8-24)19-22-16-4-2-1-3-13(16)17(26)23-19/h5-6,11H,1-4,7-10H2,(H,22,23,26)
InChIKeyOZRQEPDXJVHDIZ-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.89
Rot. Bonds2

About 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135674307) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135674307
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C19H20F2N4O2/c20-14-6-5-12(11-15(14)21)18(27)24-7-9-25(10-8-24)19-22-16-4-2-1-3-13(16)17(26)23-19/h5-6,11H,1-4,7-10H2,(H,22,23,26)
InChIKeyOZRQEPDXJVHDIZ-UHFFFAOYSA-N
XLogP1.89
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135674307) is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=C(c1ccc(F)c(F)c1)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is OZRQEPDXJVHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-14-6-5-12(11-15(14)21)18(27)24-7-9-25(10-8-24)19-22-16-4-2-1-3-13(16)17(26)23-19/h5-6,11H,1-4,7-10H2,(H,22,23,26).
What are the key properties of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 374.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135674307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).