N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide

C31H23N7O3 — CID 130197452

IUPACN'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide
SMILESO=C(NNc1ccc2cc(-c3ccc(C(=O)NNc4ccc5ccccc5n4)c(O)c3)ccc2n1)c1ccccn1
InChIInChI=1S/C31H23N7O3/c39-27-18-21(8-12-23(27)30(40)37-35-28-14-10-19-5-1-2-6-24(19)33-28)20-9-13-25-22(17-20)11-15-29(34-25)36-38-31(41)26-7-3-4-16-32-26/h1-18,39H,(H,33,35)(H,34,36)(H,37,40)(H,38,41)
InChIKeyQUJADCJYIQBCDN-UHFFFAOYSA-N
MW541.57 g/mol
LogP5.06
Rot. Bonds7

About N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide

N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide (PubChem CID 130197452) has the molecular formula C31H23N7O3 and a molecular weight of 541.57 g/mol. Its IUPAC name is N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide
PubChem CID130197452
Molecular FormulaC31H23N7O3
Molecular Weight541.57 g/mol
Exact Mass541.19
IUPAC NameN'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide
SMILESO=C(NNc1ccc2cc(-c3ccc(C(=O)NNc4ccc5ccccc5n4)c(O)c3)ccc2n1)c1ccccn1
InChIInChI=1S/C31H23N7O3/c39-27-18-21(8-12-23(27)30(40)37-35-28-14-10-19-5-1-2-6-24(19)33-28)20-9-13-25-22(17-20)11-15-29(34-25)36-38-31(41)26-7-3-4-16-32-26/h1-18,39H,(H,33,35)(H,34,36)(H,37,40)(H,38,41)
InChIKeyQUJADCJYIQBCDN-UHFFFAOYSA-N
XLogP5.06
TPSA141.16 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.57
LogP ≤ 55.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxy-4-methylbenzoyl)pyridine-2-carbohydrazide
CID 35815605
2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide
CID 70113139
1-pyridin-2-yl-2-(quinolin-2-ylamino)ethanone
CID 157051768
2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872905
N'-(3-chloro-2-pyridinyl)pyridine-2-carbohydrazide
CID 171665716
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
(E)-3-(2-chloroquinolin-3-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 52952841
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387

Frequently Asked Questions

What is the IUPAC name of N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide (CID 130197452) is N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide is O=C(NNc1ccc2cc(-c3ccc(C(=O)NNc4ccc5ccccc5n4)c(O)c3)ccc2n1)c1ccccn1.
What is the InChIKey of N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide?
The InChIKey is QUJADCJYIQBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N7O3/c39-27-18-21(8-12-23(27)30(40)37-35-28-14-10-19-5-1-2-6-24(19)33-28)20-9-13-25-22(17-20)11-15-29(34-25)36-38-31(41)26-7-3-4-16-32-26/h1-18,39H,(H,33,35)(H,34,36)(H,37,40)(H,38,41).
What are the key properties of N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide?
N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide has a molecular weight of 541.57 g/mol, XLogP of 5.06, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 130197452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).