tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate

C26H32N2O4 — CID 175288326

IUPACtert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate
SMILESCOc1cc(C)c2[nH]c(=O)c(C)cc2c1-c1ccc(C(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H32N2O4/c1-15-13-21(31-7)22(20-12-16(2)24(29)28-23(15)20)19-10-8-18(9-11-19)17(3)14-27-25(30)32-26(4,5)6/h8-13,17H,14H2,1-7H3,(H,27,30)(H,28,29)
InChIKeyPULQJWNSTJFISG-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.45
Rot. Bonds5

About tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate

tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate (PubChem CID 175288326) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate
PubChem CID175288326
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Nametert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate
SMILESCOc1cc(C)c2[nH]c(=O)c(C)cc2c1-c1ccc(C(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H32N2O4/c1-15-13-21(31-7)22(20-12-16(2)24(29)28-23(15)20)19-10-8-18(9-11-19)17(3)14-27-25(30)32-26(4,5)6/h8-13,17H,14H2,1-7H3,(H,27,30)(H,28,29)
InChIKeyPULQJWNSTJFISG-UHFFFAOYSA-N
XLogP5.45
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[f][1,7]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549962
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[c][2,6]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549918
tert-butyl N-[2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67450206
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67448652
tert-butyl N-[(2R)-2-[2-fluoro-4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67448685
2-[4-(2-fluoro-8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propylcarbamic acid
CID 118194188
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
CID 174316953
tert-butyl N-[2-[4-(6-bromo-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-2-fluorophenyl]propyl]carbamate
CID 67448905
tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate
CID 171549780
tert-butyl N-[2-[4-[2,7-dimethoxy-5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxobenzo[c][1,7]naphthyridin-1-yl]phenyl]propyl]carbamate
CID 174316675
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]butyl]carbamate
CID 67449971

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate (CID 175288326) is tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate is COc1cc(C)c2[nH]c(=O)c(C)cc2c1-c1ccc(C(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate?
The InChIKey is PULQJWNSTJFISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-15-13-21(31-7)22(20-12-16(2)24(29)28-23(15)20)19-10-8-18(9-11-19)17(3)14-27-25(30)32-26(4,5)6/h8-13,17H,14H2,1-7H3,(H,27,30)(H,28,29).
What are the key properties of tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate?
tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate has a molecular weight of 436.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(6-methoxy-3,8-dimethyl-2-oxo-1H-quinolin-5-yl)phenyl]propyl]carbamate is sourced from PubChem (CID 175288326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).