7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine

C20H23N3O — CID 146025972

IUPAC7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
SMILESCCCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN
InChIInChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)
InChIKeyWKYWHPWEQYJUAT-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds5

About 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine

7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine (PubChem CID 146025972) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
PubChem CID146025972
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
SMILESCCCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN
InChIInChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)
InChIKeyWKYWHPWEQYJUAT-UHFFFAOYSA-N
XLogP4.04
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine (CID 146025972) is 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine is CCCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN.
What is the InChIKey of 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine?
The InChIKey is WKYWHPWEQYJUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23).
What are the key properties of 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine has a molecular weight of 321.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 146025972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).