N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide

C25H27N3O2 — CID 20853528

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)c1cccc(C)c1
InChIInChI=1S/C25H27N3O2/c1-4-28(21-8-5-7-17(2)13-21)12-6-11-26-24(29)23-16-20-15-19-10-9-18(3)14-22(19)27-25(20)30-23/h5,7-10,13-16H,4,6,11-12H2,1-3H3,(H,26,29)
InChIKeyOSYNAKGXQLBTMW-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.24
Rot. Bonds7

About N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide

N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 20853528) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide
PubChem CID20853528
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)c1cccc(C)c1
InChIInChI=1S/C25H27N3O2/c1-4-28(21-8-5-7-17(2)13-21)12-6-11-26-24(29)23-16-20-15-19-10-9-18(3)14-22(19)27-25(20)30-23/h5,7-10,13-16H,4,6,11-12H2,1-3H3,(H,26,29)
InChIKeyOSYNAKGXQLBTMW-UHFFFAOYSA-N
XLogP5.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-(2-phenylethyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582807
7-methyl-N-[(4-methylphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 3279861
7-methoxy-N-[2-(3-methylphenyl)ethyl]furo[2,3-b]quinoline-2-carboxamide
CID 15996824
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4062779
2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831790
2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
CID 20854476
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
ethyl 4-[(7-methylfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 45106120
2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide (CID 20853528) is N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide is CCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is OSYNAKGXQLBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-28(21-8-5-7-17(2)13-21)12-6-11-26-24(29)23-16-20-15-19-10-9-18(3)14-22(19)27-25(20)30-23/h5,7-10,13-16H,4,6,11-12H2,1-3H3,(H,26,29).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20853528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).