7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine

C19H22N4 — CID 91971387

IUPAC7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine
SMILESCN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
InChIKeyKLVQNBMBSWDRJZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.49
Rot. Bonds5

About 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine

7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine (PubChem CID 91971387) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine
PubChem CID91971387
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine
SMILESCN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
InChIKeyKLVQNBMBSWDRJZ-UHFFFAOYSA-N
XLogP3.49
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine (CID 91971387) is 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine is CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine?
The InChIKey is KLVQNBMBSWDRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22).
What are the key properties of 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine?
7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine has a molecular weight of 306.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(dimethylamino)methyl]anilino]methyl]quinolin-2-amine is sourced from PubChem (CID 91971387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).