N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

C23H24N2O4 — CID 166413366

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)NC3CCOc4c(OC)cccc43)ccc21
InChIInChI=1S/C23H24N2O4/c1-3-21(26)25-12-5-6-15-14-16(9-10-19(15)25)23(27)24-18-11-13-29-22-17(18)7-4-8-20(22)28-2/h3-4,7-10,14,18H,1,5-6,11-13H2,2H3,(H,24,27)
InChIKeyQYWIUJFYUPXSBA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.41
Rot. Bonds4

About N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 166413366) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID166413366
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)NC3CCOc4c(OC)cccc43)ccc21
InChIInChI=1S/C23H24N2O4/c1-3-21(26)25-12-5-6-15-14-16(9-10-19(15)25)23(27)24-18-11-13-29-22-17(18)7-4-8-20(22)28-2/h3-4,7-10,14,18H,1,5-6,11-13H2,2H3,(H,24,27)
InChIKeyQYWIUJFYUPXSBA-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethyl-1,1-dioxothietan-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413254
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8819694
N-(7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413247
N'-(1-methyl-6-oxopyridine-3-carbonyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbohydrazide
CID 166413315
methyl (3S)-1-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidine-3-carboxylate
CID 166413264
1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
CID 166413301
N-(4-methylsulfinylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413269
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
N-[2-(1-methylpyrazol-3-yl)propan-2-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413252
N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 154881504
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 166413366) is N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is C=CC(=O)N1CCCc2cc(C(=O)NC3CCOc4c(OC)cccc43)ccc21.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is QYWIUJFYUPXSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-21(26)25-12-5-6-15-14-16(9-10-19(15)25)23(27)24-18-11-13-29-22-17(18)7-4-8-20(22)28-2/h3-4,7-10,14,18H,1,5-6,11-13H2,2H3,(H,24,27).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 166413366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).