tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate

C26H33N3O5 — CID 90034879

IUPACtert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
SMILESCc1nccc2c1c(=O)n(C)c1cc(OCC(C)CC(C)NC(=O)OC(C)(C)C)c(C=O)cc21
InChIInChI=1S/C26H33N3O5/c1-15(10-16(2)28-25(32)34-26(4,5)6)14-33-22-12-21-20(11-18(22)13-30)19-8-9-27-17(3)23(19)24(31)29(21)7/h8-9,11-13,15-16H,10,14H2,1-7H3,(H,28,32)
InChIKeyRTDIWKDGPGKFJJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.53
Rot. Bonds7

About tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate

tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate (PubChem CID 90034879) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
PubChem CID90034879
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Nametert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
SMILESCc1nccc2c1c(=O)n(C)c1cc(OCC(C)CC(C)NC(=O)OC(C)(C)C)c(C=O)cc21
InChIInChI=1S/C26H33N3O5/c1-15(10-16(2)28-25(32)34-26(4,5)6)14-33-22-12-21-20(11-18(22)13-30)19-8-9-27-17(3)23(19)24(31)29(21)7/h8-9,11-13,15-16H,10,14H2,1-7H3,(H,28,32)
InChIKeyRTDIWKDGPGKFJJ-UHFFFAOYSA-N
XLogP4.53
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-methyl-1-(4,6,9-trimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxypentan-2-yl]carbamate
CID 123468016
tert-butyl N-[(2S)-1-[9-(fluoromethoxy)-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]carbamate
CID 90069420
tert-butyl carbamate;4,6-dimethyl-8-(4-methylpentoxy)-5-oxobenzo[c][2,7]naphthyridine-9-carbaldehyde
CID 144565557
8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethyl-9-(1,3-oxazol-5-yl)benzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-[4,6-dimethyl-9-(1,3-oxazol-5-yl)-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]carbamate
CID 158465114
8-[(2S)-2-amino-4-methylpentoxy]-7-chloro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one;tert-butyl N-[(2S)-1-(7-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate;tert-butyl N-[(2S)-1-(9-chloro-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
CID 160797771
8-[(2S)-2-amino-4-methylpentoxy]-9-(difluoromethyl)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213949
tert-butyl N-[4-methyl-5-[2-methyl-4-(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl)phenoxy]pentan-2-yl]carbamate
CID 146260420
8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one
CID 123759933
tert-butyl carbamate;4,6-dimethyl-8-(4-methylpentoxy)-9-(1,3-thiazol-5-yl)benzo[c][2,7]naphthyridin-5-one
CID 144565555
tert-butyl N-[(2S)-1-[6-[(4-methoxyphenyl)methyl]-4-methyl-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]carbamate
CID 86710427
[5-(9-bromo-2,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamic acid
CID 90035070
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate (CID 90034879) is tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate is Cc1nccc2c1c(=O)n(C)c1cc(OCC(C)CC(C)NC(=O)OC(C)(C)C)c(C=O)cc21.
What is the InChIKey of tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?
The InChIKey is RTDIWKDGPGKFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-15(10-16(2)28-25(32)34-26(4,5)6)14-33-22-12-21-20(11-18(22)13-30)19-8-9-27-17(3)23(19)24(31)29(21)7/h8-9,11-13,15-16H,10,14H2,1-7H3,(H,28,32).
What are the key properties of tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate?
tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate has a molecular weight of 467.57 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(9-formyl-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 90034879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).