N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline

C20H22N2O — CID 56946827

IUPACN,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline
SMILESCC(C)Oc1cc(-c2ccc(N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C20H22N2O/c1-14(2)23-20-13-19(21-18-8-6-5-7-17(18)20)15-9-11-16(12-10-15)22(3)4/h5-14H,1-4H3
InChIKeyLZCHVOKXAAYWSS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.76
Rot. Bonds4

About N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline

N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline (PubChem CID 56946827) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline
PubChem CID56946827
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline
SMILESCC(C)Oc1cc(-c2ccc(N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C20H22N2O/c1-14(2)23-20-13-19(21-18-8-6-5-7-17(18)20)15-9-11-16(12-10-15)22(3)4/h5-14H,1-4H3
InChIKeyLZCHVOKXAAYWSS-UHFFFAOYSA-N
XLogP4.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline (CID 56946827) is N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline is CC(C)Oc1cc(-c2ccc(N(C)C)cc2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline?
The InChIKey is LZCHVOKXAAYWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14(2)23-20-13-19(21-18-8-6-5-7-17(18)20)15-9-11-16(12-10-15)22(3)4/h5-14H,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline?
N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline has a molecular weight of 306.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline is sourced from PubChem (CID 56946827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).