tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate

C23H26N2O3 — CID 69031799

IUPACtert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate
SMILESCOc1ccc(-c2cc3ccccc3nc2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-23(2,3)28-22(26)24-14-13-21-19(16-9-11-18(27-4)12-10-16)15-17-7-5-6-8-20(17)25-21/h5-12,15H,13-14H2,1-4H3,(H,24,26)
InChIKeyXEKJXOLLBDPFAX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate

tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate (PubChem CID 69031799) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate
PubChem CID69031799
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Nametert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate
SMILESCOc1ccc(-c2cc3ccccc3nc2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-23(2,3)28-22(26)24-14-13-21-19(16-9-11-18(27-4)12-10-16)15-17-7-5-6-8-20(17)25-21/h5-12,15H,13-14H2,1-4H3,(H,24,26)
InChIKeyXEKJXOLLBDPFAX-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
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tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate
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tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[6-fluoro-4-(hydroxymethyl)-3-phenylquinolin-2-yl]ethyl]carbamate
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CID 168946645
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
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tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
CID 91250750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate (CID 69031799) is tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate is COc1ccc(-c2cc3ccccc3nc2CCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate?
The InChIKey is XEKJXOLLBDPFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-23(2,3)28-22(26)24-14-13-21-19(16-9-11-18(27-4)12-10-16)15-17-7-5-6-8-20(17)25-21/h5-12,15H,13-14H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(4-methoxyphenyl)quinolin-2-yl]ethyl]carbamate is sourced from PubChem (CID 69031799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).