7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

C23H20N2O3 — CID 94648348

IUPAC7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)N3CCC[C@@H]3c3cccc4ccccc34)ccc2N1
InChIInChI=1S/C23H20N2O3/c26-22-14-28-21-13-16(10-11-19(21)24-22)23(27)25-12-4-9-20(25)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-8,10-11,13,20H,4,9,12,14H2,(H,24,26)/t20-/m1/s1
InChIKeyJIAGFJZEGNQRAZ-HXUWFJFHSA-N
MW372.42 g/mol
LogP4.15
Rot. Bonds2

About 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 94648348) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID94648348
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)N3CCC[C@@H]3c3cccc4ccccc34)ccc2N1
InChIInChI=1S/C23H20N2O3/c26-22-14-28-21-13-16(10-11-19(21)24-22)23(27)25-12-4-9-20(25)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-8,10-11,13,20H,4,9,12,14H2,(H,24,26)/t20-/m1/s1
InChIKeyJIAGFJZEGNQRAZ-HXUWFJFHSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 31797291
7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 26419995
6-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 94485229
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 154835826
6-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 124852211
6-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 119631026
6-[2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 154751685
7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 127380996
6-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 95287572
1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile
CID 49063777
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
3-(3-methoxypropyl)-7-[(2S)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 98283303

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (CID 94648348) is 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(C(=O)N3CCC[C@@H]3c3cccc4ccccc34)ccc2N1.
What is the InChIKey of 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JIAGFJZEGNQRAZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22-14-28-21-13-16(10-11-19(21)24-22)23(27)25-12-4-9-20(25)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-8,10-11,13,20H,4,9,12,14H2,(H,24,26)/t20-/m1/s1.
What are the key properties of 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 372.42 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 94648348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).