N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide

C16H15N3O4 — CID 18104377

IUPACN'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15N3O4/c1-9-12(6-7-23-9)16(22)19-18-15(21)11-2-4-13-10(8-11)3-5-14(20)17-13/h2,4,6-8H,3,5H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNVFGZZVIPDSGCV-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.55
Rot. Bonds2

About N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide

N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide (PubChem CID 18104377) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide
PubChem CID18104377
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15N3O4/c1-9-12(6-7-23-9)16(22)19-18-15(21)11-2-4-13-10(8-11)3-5-14(20)17-13/h2,4,6-8H,3,5H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNVFGZZVIPDSGCV-UHFFFAOYSA-N
XLogP1.55
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-[(5-methylfuran-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712317
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-(4-methylpiperidin-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711737
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide?
The IUPAC name of N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide (CID 18104377) is N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide.
What is the SMILES notation for N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide?
The canonical SMILES for N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide?
The InChIKey is NVFGZZVIPDSGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-12(6-7-23-9)16(22)19-18-15(21)11-2-4-13-10(8-11)3-5-14(20)17-13/h2,4,6-8H,3,5H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide?
N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide has a molecular weight of 313.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide is sourced from PubChem (CID 18104377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).