5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide

C14H17ClN4O — CID 116784971

IUPAC5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
SMILESN/C(CCCCNc1ccc(Cl)c2cccnc12)=N/O
InChIInChI=1S/C14H17ClN4O/c15-11-6-7-12(14-10(11)4-3-9-18-14)17-8-2-1-5-13(16)19-20/h3-4,6-7,9,17,20H,1-2,5,8H2,(H2,16,19)
InChIKeyRRHMQYQTSXKTHF-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.22
Rot. Bonds6

About 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide

5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide (PubChem CID 116784971) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
PubChem CID116784971
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
SMILESN/C(CCCCNc1ccc(Cl)c2cccnc12)=N/O
InChIInChI=1S/C14H17ClN4O/c15-11-6-7-12(14-10(11)4-3-9-18-14)17-8-2-1-5-13(16)19-20/h3-4,6-7,9,17,20H,1-2,5,8H2,(H2,16,19)
InChIKeyRRHMQYQTSXKTHF-UHFFFAOYSA-N
XLogP3.22
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
CID 114260347
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785318
8-chloro-N-heptylquinolin-5-amine
CID 43731731
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide (CID 116784971) is 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide is N/C(CCCCNc1ccc(Cl)c2cccnc12)=N/O.
What is the InChIKey of 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide?
The InChIKey is RRHMQYQTSXKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-11-6-7-12(14-10(11)4-3-9-18-14)17-8-2-1-5-13(16)19-20/h3-4,6-7,9,17,20H,1-2,5,8H2,(H2,16,19).
What are the key properties of 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide?
5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide has a molecular weight of 292.77 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 116784971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).