[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate

C18H16N2O3 — CID 175036962

IUPAC[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
SMILESCOc1ccc2c(-c3ccc(COC(N)=O)cc3)ccnc2c1
InChIInChI=1S/C18H16N2O3/c1-22-14-6-7-16-15(8-9-20-17(16)10-14)13-4-2-12(3-5-13)11-23-18(19)21/h2-10H,11H2,1H3,(H2,19,21)
InChIKeyZRKZAMUHVQTGNS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.51
Rot. Bonds4

About [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate

[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate (PubChem CID 175036962) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
PubChem CID175036962
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
SMILESCOc1ccc2c(-c3ccc(COC(N)=O)cc3)ccnc2c1
InChIInChI=1S/C18H16N2O3/c1-22-14-6-7-16-15(8-9-20-17(16)10-14)13-4-2-12(3-5-13)11-23-18(19)21/h2-10H,11H2,1H3,(H2,19,21)
InChIKeyZRKZAMUHVQTGNS-UHFFFAOYSA-N
XLogP3.51
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[4-(7-methoxyquinolin-4-yl)-2-methylphenyl] propanedioate
CID 175394062
7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
CID 155100032
7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline
CID 151937578
methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
CID 170169423
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
CID 175787265
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
CID 157040683
4,7-dimethoxyquinoline
CID 20743716
imino-[7-(7-methoxyquinolin-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-methyl-oxo-λ6-sulfane
CID 166562020
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
tert-butyl N-[[4-(6,7-dimethoxyquinolin-4-yl)phenyl]methyl]-N-methylcarbamate
CID 154630901
4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
CID 155099810

Frequently Asked Questions

What is the IUPAC name of [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate?
The IUPAC name of [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate (CID 175036962) is [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate.
What is the SMILES notation for [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate?
The canonical SMILES for [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate is COc1ccc2c(-c3ccc(COC(N)=O)cc3)ccnc2c1.
What is the InChIKey of [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate?
The InChIKey is ZRKZAMUHVQTGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-14-6-7-16-15(8-9-20-17(16)10-14)13-4-2-12(3-5-13)11-23-18(19)21/h2-10H,11H2,1H3,(H2,19,21).
What are the key properties of [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate?
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate has a molecular weight of 308.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate is sourced from PubChem (CID 175036962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).