tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

C26H29NO3 — CID 67561637

IUPACtert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCc1cc(COc2ccc(CC3CC3C(=O)OC(C)(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C26H29NO3/c1-17-13-20(22-7-5-6-8-24(22)27-17)16-29-21-11-9-18(10-12-21)14-19-15-23(19)25(28)30-26(2,3)4/h5-13,19,23H,14-16H2,1-4H3
InChIKeyFLVOZZAKBGYWHB-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.64
Rot. Bonds6

About tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 67561637) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID67561637
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Nametert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCc1cc(COc2ccc(CC3CC3C(=O)OC(C)(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C26H29NO3/c1-17-13-20(22-7-5-6-8-24(22)27-17)16-29-21-11-9-18(10-12-21)14-19-15-23(19)25(28)30-26(2,3)4/h5-13,19,23H,14-16H2,1-4H3
InChIKeyFLVOZZAKBGYWHB-UHFFFAOYSA-N
XLogP5.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 59978421
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
cis-tert-butyl (1S,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(1,2,4-oxadiazol-3-yl)cyclopropane-1-carboxylate
CID 70961199
tert-butyl (3S,4S)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylate;hydrochloride
CID 68818815
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol
CID 142258750
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
tert-butyl (2R)-2-carbamothioyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;tert-butyl (2R)-2-carbamoyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;tert-butyl (2R)-2-cyano-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;methane
CID 158171144
2-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;pyrrolidine-1-carbaldehyde
CID 142258853
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
tert-butyl (3S,4R)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CID 87907383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate (CID 67561637) is tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate is Cc1cc(COc2ccc(CC3CC3C(=O)OC(C)(C)C)cc2)c2ccccc2n1.
What is the InChIKey of tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is FLVOZZAKBGYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-17-13-20(22-7-5-6-8-24(22)27-17)16-29-21-11-9-18(10-12-21)14-19-15-23(19)25(28)30-26(2,3)4/h5-13,19,23H,14-16H2,1-4H3.
What are the key properties of tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 403.52 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67561637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).