2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide

C25H18FN5O2 — CID 154859440

IUPAC2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
SMILESCn1c(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H18FN5O2/c1-31-24(33)18-7-3-5-9-21(18)28-25(31)30-29-23(32)19-14-22(15-10-12-16(26)13-11-15)27-20-8-4-2-6-17(19)20/h2-14H,1H3,(H,28,30)(H,29,32)
InChIKeyKQJUAXCJSDOODZ-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide

2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide (PubChem CID 154859440) has the molecular formula C25H18FN5O2 and a molecular weight of 439.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
PubChem CID154859440
Molecular FormulaC25H18FN5O2
Molecular Weight439.45 g/mol
Exact Mass439.14
IUPAC Name2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
SMILESCn1c(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H18FN5O2/c1-31-24(33)18-7-3-5-9-21(18)28-25(31)30-29-23(32)19-14-22(15-10-12-16(26)13-11-15)27-20-8-4-2-6-17(19)20/h2-14H,1H3,(H,28,30)(H,29,32)
InChIKeyKQJUAXCJSDOODZ-UHFFFAOYSA-N
XLogP4.04
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
CID 2318990
2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
CID 9077551
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
1-[2-(dimethylamino)ethyl]-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea
CID 8628003
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide (CID 154859440) is 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide is Cn1c(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide?
The InChIKey is KQJUAXCJSDOODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2/c1-31-24(33)18-7-3-5-9-21(18)28-25(31)30-29-23(32)19-14-22(15-10-12-16(26)13-11-15)27-20-8-4-2-6-17(19)20/h2-14H,1H3,(H,28,30)(H,29,32).
What are the key properties of 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide?
2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide has a molecular weight of 439.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide is sourced from PubChem (CID 154859440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).