benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate

C25H28N4O4 — CID 67248915

IUPACbenzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate
SMILESCOc1ccc2ncc3c(c2n1)NC(C1CCC(NC(=O)OCc2ccccc2)CC1)CO3
InChIInChI=1S/C25H28N4O4/c1-31-22-12-11-19-23(29-22)24-21(13-26-19)32-15-20(28-24)17-7-9-18(10-8-17)27-25(30)33-14-16-5-3-2-4-6-16/h2-6,11-13,17-18,20,28H,7-10,14-15H2,1H3,(H,27,30)
InChIKeyCVLJPDYYAJRMQL-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.30
Rot. Bonds5

About benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate

benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate (PubChem CID 67248915) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate
PubChem CID67248915
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Namebenzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate
SMILESCOc1ccc2ncc3c(c2n1)NC(C1CCC(NC(=O)OCc2ccccc2)CC1)CO3
InChIInChI=1S/C25H28N4O4/c1-31-22-12-11-19-23(29-22)24-21(13-26-19)32-15-20(28-24)17-7-9-18(10-8-17)27-25(30)33-14-16-5-3-2-4-6-16/h2-6,11-13,17-18,20,28H,7-10,14-15H2,1H3,(H,27,30)
InChIKeyCVLJPDYYAJRMQL-UHFFFAOYSA-N
XLogP4.30
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate with MolForge

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Related Compounds

benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
CID 67445927
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542
tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 66746573
[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid
CID 141275453
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[(2S,3R,4R)-2-cyclopropyl-6-methoxy-3-methyl-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate
CID 142798871
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate
CID 166759403
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
CID 157386360

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate (CID 67248915) is benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate is COc1ccc2ncc3c(c2n1)NC(C1CCC(NC(=O)OCc2ccccc2)CC1)CO3.
What is the InChIKey of benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate?
The InChIKey is CVLJPDYYAJRMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-22-12-11-19-23(29-22)24-21(13-26-19)32-15-20(28-24)17-7-9-18(10-8-17)27-25(30)33-14-16-5-3-2-4-6-16/h2-6,11-13,17-18,20,28H,7-10,14-15H2,1H3,(H,27,30).
What are the key properties of benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate?
benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate has a molecular weight of 448.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate is sourced from PubChem (CID 67248915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).