N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide

C24H24N2O4 — CID 16927234

IUPACN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21
InChIInChI=1S/C24H24N2O4/c1-15(2)11-12-26-20-9-8-18(13-16(20)7-10-22(26)27)25-23(28)19-14-17-5-3-4-6-21(17)30-24(19)29/h3-6,8-9,13-15H,7,10-12H2,1-2H3,(H,25,28)
InChIKeyRYFGBQQZNMSTIB-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.37
Rot. Bonds5

About N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide (PubChem CID 16927234) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
PubChem CID16927234
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21
InChIInChI=1S/C24H24N2O4/c1-15(2)11-12-26-20-9-8-18(13-16(20)7-10-22(26)27)25-23(28)19-14-17-5-3-4-6-21(17)30-24(19)29/h3-6,8-9,13-15H,7,10-12H2,1-2H3,(H,25,28)
InChIKeyRYFGBQQZNMSTIB-UHFFFAOYSA-N
XLogP4.37
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
CID 110744717
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]naphthalene-1-carboxamide
CID 16927149
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide (CID 16927234) is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21.
What is the InChIKey of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide?
The InChIKey is RYFGBQQZNMSTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15(2)11-12-26-20-9-8-18(13-16(20)7-10-22(26)27)25-23(28)19-14-17-5-3-4-6-21(17)30-24(19)29/h3-6,8-9,13-15H,7,10-12H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide?
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16927234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).