7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

C18H18ClN3O — CID 91971388

IUPAC7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
SMILESCNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
InChIInChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
InChIKeySVDORCPNIHFYFA-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.77
Rot. Bonds5

About 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine (PubChem CID 91971388) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
PubChem CID91971388
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
SMILESCNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
InChIInChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
InChIKeySVDORCPNIHFYFA-UHFFFAOYSA-N
XLogP3.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine (CID 91971388) is 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine is CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl.
What is the InChIKey of 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
The InChIKey is SVDORCPNIHFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22).
What are the key properties of 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine?
7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine has a molecular weight of 327.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-chloro-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 91971388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).