N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide

C20H19F2N3O3 — CID 15988192

IUPACN-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2c1=O
InChIInChI=1S/C20H19F2N3O3/c1-2-3-4-9-25-19(27)14-7-5-12(10-17(14)24-20(25)28)18(26)23-13-6-8-15(21)16(22)11-13/h5-8,10-11H,2-4,9H2,1H3,(H,23,26)(H,24,28)
InChIKeyDMNPFBVLDUXMCN-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.41
Rot. Bonds6

About N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide

N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide (PubChem CID 15988192) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
PubChem CID15988192
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2c1=O
InChIInChI=1S/C20H19F2N3O3/c1-2-3-4-9-25-19(27)14-7-5-12(10-17(14)24-20(25)28)18(26)23-13-6-8-15(21)16(22)11-13/h5-8,10-11H,2-4,9H2,1H3,(H,23,26)(H,24,28)
InChIKeyDMNPFBVLDUXMCN-UHFFFAOYSA-N
XLogP3.41
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide (CID 15988192) is N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide is CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2c1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
The InChIKey is DMNPFBVLDUXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-2-3-4-9-25-19(27)14-7-5-12(10-17(14)24-20(25)28)18(26)23-13-6-8-15(21)16(22)11-13/h5-8,10-11H,2-4,9H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide?
N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 15988192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).