N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide

C20H16ClN3O2 — CID 9206846

IUPACN'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2/c21-14-9-7-13(8-10-14)19(25)23-24-20(26)16-11-18(12-5-6-12)22-17-4-2-1-3-15(16)17/h1-4,7-12H,5-6H2,(H,23,25)(H,24,26)
InChIKeyWLPXKIHEOHEISB-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.84
Rot. Bonds3

About N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide

N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide (PubChem CID 9206846) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
PubChem CID9206846
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2/c21-14-9-7-13(8-10-14)19(25)23-24-20(26)16-11-18(12-5-6-12)22-17-4-2-1-3-15(16)17/h1-4,7-12H,5-6H2,(H,23,25)(H,24,26)
InChIKeyWLPXKIHEOHEISB-UHFFFAOYSA-N
XLogP3.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-cyclopropyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 9424886
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide (CID 9206846) is N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide?
The InChIKey is WLPXKIHEOHEISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-14-9-7-13(8-10-14)19(25)23-24-20(26)16-11-18(12-5-6-12)22-17-4-2-1-3-15(16)17/h1-4,7-12H,5-6H2,(H,23,25)(H,24,26).
What are the key properties of N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide?
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide has a molecular weight of 365.82 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide is sourced from PubChem (CID 9206846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).