1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one

C19H19N3O4 — CID 167786521

IUPAC1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
SMILESCC(=O)N1CC(C(=O)N2CCCc3cc[nH]c(=O)c32)Oc2ccccc21
InChIInChI=1S/C19H19N3O4/c1-12(23)22-11-16(26-15-7-3-2-6-14(15)22)19(25)21-10-4-5-13-8-9-20-18(24)17(13)21/h2-3,6-9,16H,4-5,10-11H2,1H3,(H,20,24)
InChIKeyAWNKNTPWKGJART-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one

1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one (PubChem CID 167786521) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
PubChem CID167786521
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
SMILESCC(=O)N1CC(C(=O)N2CCCc3cc[nH]c(=O)c32)Oc2ccccc21
InChIInChI=1S/C19H19N3O4/c1-12(23)22-11-16(26-15-7-3-2-6-14(15)22)19(25)21-10-4-5-13-8-9-20-18(24)17(13)21/h2-3,6-9,16H,4-5,10-11H2,1H3,(H,20,24)
InChIKeyAWNKNTPWKGJART-UHFFFAOYSA-N
XLogP1.47
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one with MolForge

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Related Compounds

1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
4-acetyl-N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 45281354
3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25382426
(2S)-4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30991486
2,3-dihydro-1-benzofuran-2-yl-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47027785
ethyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 13425083
N-(1-acetyl-2,3-dihydroindol-4-yl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 167832172
4-acetyl-N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18194453
(2S)-4-acetyl-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41323984

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
The IUPAC name of 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one (CID 167786521) is 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
The canonical SMILES for 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one is CC(=O)N1CC(C(=O)N2CCCc3cc[nH]c(=O)c32)Oc2ccccc21.
What is the InChIKey of 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
The InChIKey is AWNKNTPWKGJART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(23)22-11-16(26-15-7-3-2-6-14(15)22)19(25)21-10-4-5-13-8-9-20-18(24)17(13)21/h2-3,6-9,16H,4-5,10-11H2,1H3,(H,20,24).
What are the key properties of 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one?
1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one has a molecular weight of 353.38 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 167786521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).