7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one

C23H28N2O3 — CID 19098585

IUPAC7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)NOC(=O)C2
InChIInChI=1S/C23H28N2O3/c1-25(12-11-16-9-10-17-14-23(26)28-24-21(17)13-16)15-18-5-3-7-20-19(18)6-4-8-22(20)27-2/h4,6,8-10,13,18,24H,3,5,7,11-12,14-15H2,1-2H3
InChIKeyBJSKGRHZFYVRKN-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.72
Rot. Bonds6

About 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one

7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one (PubChem CID 19098585) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one.

Molecular Properties

Compound Name7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one
PubChem CID19098585
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)NOC(=O)C2
InChIInChI=1S/C23H28N2O3/c1-25(12-11-16-9-10-17-14-23(26)28-24-21(17)13-16)15-18-5-3-7-20-19(18)6-4-8-22(20)27-2/h4,6,8-10,13,18,24H,3,5,7,11-12,14-15H2,1-2H3
InChIKeyBJSKGRHZFYVRKN-UHFFFAOYSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 19098466
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-1,4-benzothiazin-2-one
CID 19098406
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 139884804
2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
CID 19098496
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3H-quinolin-4-one
CID 19098429
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]chromen-4-one
CID 19098566
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2H-isoquinolin-1-one
CID 19098446
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one
CID 19098525
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488
2-(1H-indazol-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 67699375
2-(1,3-benzoxazol-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098357

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one?
The IUPAC name of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one (CID 19098585) is 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one.
What is the SMILES notation for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one?
The canonical SMILES for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)NOC(=O)C2.
What is the InChIKey of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one?
The InChIKey is BJSKGRHZFYVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-25(12-11-16-9-10-17-14-23(26)28-24-21(17)13-16)15-18-5-3-7-20-19(18)6-4-8-22(20)27-2/h4,6,8-10,13,18,24H,3,5,7,11-12,14-15H2,1-2H3.
What are the key properties of 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one?
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one has a molecular weight of 380.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one is sourced from PubChem (CID 19098585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).