N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide

C19H14N2O3 — CID 134153428

IUPACN-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc12
InChIInChI=1S/C19H14N2O3/c1-11-8-18(22)24-17-10-13(6-7-14(11)17)20-19(23)16-9-12-4-2-3-5-15(12)21-16/h2-10,21H,1H3,(H,20,23)
InChIKeyDDCDOBRNULRGAE-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.84
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide (PubChem CID 134153428) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
PubChem CID134153428
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc12
InChIInChI=1S/C19H14N2O3/c1-11-8-18(22)24-17-10-13(6-7-14(11)17)20-19(23)16-9-12-4-2-3-5-15(12)21-16/h2-10,21H,1H3,(H,20,23)
InChIKeyDDCDOBRNULRGAE-UHFFFAOYSA-N
XLogP3.84
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide (CID 134153428) is N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide?
The InChIKey is DDCDOBRNULRGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-11-8-18(22)24-17-10-13(6-7-14(11)17)20-19(23)16-9-12-4-2-3-5-15(12)21-16/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 134153428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).