N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C19H19N3O3 — CID 130215109

IUPACN-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCN2CCc3ccccc32)NC1=O
InChIInChI=1S/C19H19N3O3/c1-12-18(23)21-15-7-4-6-14(17(15)25-12)19(24)20-11-22-10-9-13-5-2-3-8-16(13)22/h2-8,12H,9-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyHXLNVWANJVCHNS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.16
Rot. Bonds3

About N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 130215109) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID130215109
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NCN2CCc3ccccc32)NC1=O
InChIInChI=1S/C19H19N3O3/c1-12-18(23)21-15-7-4-6-14(17(15)25-12)19(24)20-11-22-10-9-13-5-2-3-8-16(13)22/h2-8,12H,9-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyHXLNVWANJVCHNS-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 130215109) is N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)NCN2CCc3ccccc32)NC1=O.
What is the InChIKey of N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is HXLNVWANJVCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-18(23)21-15-7-4-6-14(17(15)25-12)19(24)20-11-22-10-9-13-5-2-3-8-16(13)22/h2-8,12H,9-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 130215109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).