N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide

C28H28N6O2 — CID 27670101

IUPACN'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C28H28N6O2/c35-27(12-14-33-15-17-34(18-16-33)22-8-2-1-3-9-22)31-32-28(36)24-19-26(21-7-6-13-29-20-21)30-25-11-5-4-10-23(24)25/h1-11,13,19-20H,12,14-18H2,(H,31,35)(H,32,36)
InChIKeyOUCXSOJNGFHCNS-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.27
Rot. Bonds6

About N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide

N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide (PubChem CID 27670101) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
PubChem CID27670101
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC NameN'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C28H28N6O2/c35-27(12-14-33-15-17-34(18-16-33)22-8-2-1-3-9-22)31-32-28(36)24-19-26(21-7-6-13-29-20-21)30-25-11-5-4-10-23(24)25/h1-11,13,19-20H,12,14-18H2,(H,31,35)(H,32,36)
InChIKeyOUCXSOJNGFHCNS-UHFFFAOYSA-N
XLogP3.27
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.27
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-(2-hydroxyphenyl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 17496046
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55335725
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27679654
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide (CID 27670101) is N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide?
The InChIKey is OUCXSOJNGFHCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c35-27(12-14-33-15-17-34(18-16-33)22-8-2-1-3-9-22)31-32-28(36)24-19-26(21-7-6-13-29-20-21)30-25-11-5-4-10-23(24)25/h1-11,13,19-20H,12,14-18H2,(H,31,35)(H,32,36).
What are the key properties of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide?
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide has a molecular weight of 480.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 27670101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).