2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide

C19H16Cl2N4O2 — CID 17396990

IUPAC2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H16Cl2N4O2/c20-12-5-6-14-16(7-9-22-17(14)11-12)24-25-18(26)8-10-23-19(27)13-3-1-2-4-15(13)21/h1-7,9,11H,8,10H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyXFVSVSRJGHZSIQ-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.80
Rot. Bonds6

About 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide

2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 17396990) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID17396990
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H16Cl2N4O2/c20-12-5-6-14-16(7-9-22-17(14)11-12)24-25-18(26)8-10-23-19(27)13-3-1-2-4-15(13)21/h1-7,9,11H,8,10H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyXFVSVSRJGHZSIQ-UHFFFAOYSA-N
XLogP3.80
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.80
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

3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
CID 162671196
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
bis([(7-chloroquinolin-4-yl)amino]thiourea);methanol;hydrate
CID 139062073
13-[(7-chloroquinolin-4-yl)amino]-13-oxotridecanoic acid
CID 156874842
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
N-(3-chloro-2-methylphenyl)-2-[(7-chloroquinolin-4-yl)amino]acetamide
CID 9339333
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 100776891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide (CID 17396990) is 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is XFVSVSRJGHZSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c20-12-5-6-14-16(7-9-22-17(14)11-12)24-25-18(26)8-10-23-19(27)13-3-1-2-4-15(13)21/h1-7,9,11H,8,10H2,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 403.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 17396990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).