3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde

C20H21N3O3 — CID 139528700

IUPAC3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde
SMILESCOc1ccc2nccc(NCCCCc3ccc(O)c(C=O)n3)c2c1
InChIInChI=1S/C20H21N3O3/c1-26-15-6-7-17-16(12-15)18(9-11-22-17)21-10-3-2-4-14-5-8-20(25)19(13-24)23-14/h5-9,11-13,25H,2-4,10H2,1H3,(H,21,22)
InChIKeyQFRBKSCFBNPKFW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.59
Rot. Bonds8

About 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde

3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde (PubChem CID 139528700) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde
PubChem CID139528700
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde
SMILESCOc1ccc2nccc(NCCCCc3ccc(O)c(C=O)n3)c2c1
InChIInChI=1S/C20H21N3O3/c1-26-15-6-7-17-16(12-15)18(9-11-22-17)21-10-3-2-4-14-5-8-20(25)19(13-24)23-14/h5-9,11-13,25H,2-4,10H2,1H3,(H,21,22)
InChIKeyQFRBKSCFBNPKFW-UHFFFAOYSA-N
XLogP3.59
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol
CID 137038269
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
methyl 3-hydroxy-6-[4-[(8-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carboxylate
CID 126529932
2-hydroxy-3-[(6-methoxyquinolin-4-yl)amino]-N-methylpropanamide
CID 154782094
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
7-chloro-N-[5-[4-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-yl]pentyl]quinolin-4-amine
CID 148561208
(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 138560123

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde (CID 139528700) is 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde is COc1ccc2nccc(NCCCCc3ccc(O)c(C=O)n3)c2c1.
What is the InChIKey of 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde?
The InChIKey is QFRBKSCFBNPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-15-6-7-17-16(12-15)18(9-11-22-17)21-10-3-2-4-14-5-8-20(25)19(13-24)23-14/h5-9,11-13,25H,2-4,10H2,1H3,(H,21,22).
What are the key properties of 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde?
3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde has a molecular weight of 351.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 139528700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).