7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one

C21H21N3O3 — CID 127380996

IUPAC7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)N3CCN(CC4CC4)c4ccccc43)ccc2N1
InChIInChI=1S/C21H21N3O3/c25-20-13-27-19-11-15(7-8-16(19)22-20)21(26)24-10-9-23(12-14-5-6-14)17-3-1-2-4-18(17)24/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,22,25)
InChIKeyVNVIQTXZWDZAAC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.89
Rot. Bonds3

About 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one

7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 127380996) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID127380996
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)N3CCN(CC4CC4)c4ccccc43)ccc2N1
InChIInChI=1S/C21H21N3O3/c25-20-13-27-19-11-15(7-8-16(19)22-20)21(26)24-10-9-23(12-14-5-6-14)17-3-1-2-4-18(17)24/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,22,25)
InChIKeyVNVIQTXZWDZAAC-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7385118
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CID 654481
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CID 10643697
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CID 979227
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CID 9836900
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Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one (CID 127380996) is 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(C(=O)N3CCN(CC4CC4)c4ccccc43)ccc2N1.
What is the InChIKey of 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is VNVIQTXZWDZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20-13-27-19-11-15(7-8-16(19)22-20)21(26)24-10-9-23(12-14-5-6-14)17-3-1-2-4-18(17)24/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,22,25).
What are the key properties of 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one?
7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 363.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 127380996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).