N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide

C19H16N2O3 — CID 110744717

IUPACN-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
SMILESCN1CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21
InChIInChI=1S/C19H16N2O3/c1-21-9-8-12-10-14(6-7-16(12)21)20-18(22)15-11-13-4-2-3-5-17(13)24-19(15)23/h2-7,10-11H,8-9H2,1H3,(H,20,22)
InChIKeyMQMKEGVIIHZJLJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.04
Rot. Bonds2

About N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide

N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide (PubChem CID 110744717) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
PubChem CID110744717
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
SMILESCN1CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21
InChIInChI=1S/C19H16N2O3/c1-21-9-8-12-10-14(6-7-16(12)21)20-18(22)15-11-13-4-2-3-5-17(13)24-19(15)23/h2-7,10-11H,8-9H2,1H3,(H,20,22)
InChIKeyMQMKEGVIIHZJLJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234
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CID 16943639
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
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CID 724176
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 35355077
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide (CID 110744717) is N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide is CN1CCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide?
The InChIKey is MQMKEGVIIHZJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-21-9-8-12-10-14(6-7-16(12)21)20-18(22)15-11-13-4-2-3-5-17(13)24-19(15)23/h2-7,10-11H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide?
N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110744717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).