6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C22H24N4O3 — CID 134810425

IUPAC6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cnn(C)c2)c2c(c1)N(C)CCO2
InChIInChI=1S/C22H24N4O3/c1-25-8-9-29-21-18(22(27)23-12-15-13-24-26(2)14-15)10-16(11-19(21)25)17-6-4-5-7-20(17)28-3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,27)
InChIKeyKWYGORBTMOHZEN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.85
Rot. Bonds5

About 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134810425) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134810425
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cnn(C)c2)c2c(c1)N(C)CCO2
InChIInChI=1S/C22H24N4O3/c1-25-8-9-29-21-18(22(27)23-12-15-13-24-26(2)14-15)10-16(11-19(21)25)17-6-4-5-7-20(17)28-3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,27)
InChIKeyKWYGORBTMOHZEN-UHFFFAOYSA-N
XLogP2.85
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Temanogrel
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6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
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4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
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3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
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N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-methylpiperazine-1-carbonyl)chroman-3-carboxamide
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N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)chroman-3,6-dicarboxamide
CID 44571470
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N6-dimethylchroman-3,6-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134810425) is 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2cnn(C)c2)c2c(c1)N(C)CCO2.
What is the InChIKey of 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is KWYGORBTMOHZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-8-9-29-21-18(22(27)23-12-15-13-24-26(2)14-15)10-16(11-19(21)25)17-6-4-5-7-20(17)28-3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,27).
What are the key properties of 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134810425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).