2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde

C20H15ClN2O3 — CID 88919573

IUPAC2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde
SMILESCOc1ccc2c(Nc3ccc(CC=O)cc3)c3c(Cl)coc3nc2c1
InChIInChI=1S/C20H15ClN2O3/c1-25-14-6-7-15-17(10-14)23-20-18(16(21)11-26-20)19(15)22-13-4-2-12(3-5-13)8-9-24/h2-7,9-11H,8H2,1H3,(H,22,23)
InChIKeyJTASCVYCZBXOBJ-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.13
Rot. Bonds5

About 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde

2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde (PubChem CID 88919573) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde
PubChem CID88919573
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde
SMILESCOc1ccc2c(Nc3ccc(CC=O)cc3)c3c(Cl)coc3nc2c1
InChIInChI=1S/C20H15ClN2O3/c1-25-14-6-7-15-17(10-14)23-20-18(16(21)11-26-20)19(15)22-13-4-2-12(3-5-13)8-9-24/h2-7,9-11H,8H2,1H3,(H,22,23)
InChIKeyJTASCVYCZBXOBJ-UHFFFAOYSA-N
XLogP5.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-N-(3-aminopropoxy)-C-methylcarbonimidoyl]phenyl]-3-chloro-7-methoxyfuro[2,3-b]quinolin-4-amine
CID 53362927
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
N-[4-[(8-methoxy-2-oxopyrano[2,3-b]quinolin-5-yl)amino]phenyl]methanesulfonamide
CID 44564091
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
3-chloro-N-[4-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine
CID 53362811
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 22417905
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46186895
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
CID 155402944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde (CID 88919573) is 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde is COc1ccc2c(Nc3ccc(CC=O)cc3)c3c(Cl)coc3nc2c1.
What is the InChIKey of 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde?
The InChIKey is JTASCVYCZBXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-25-14-6-7-15-17(10-14)23-20-18(16(21)11-26-20)19(15)22-13-4-2-12(3-5-13)8-9-24/h2-7,9-11H,8H2,1H3,(H,22,23).
What are the key properties of 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde?
2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde has a molecular weight of 366.80 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-7-methoxyfuro[2,3-b]quinolin-4-yl)amino]phenyl]acetaldehyde is sourced from PubChem (CID 88919573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).