1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

C19H21N3 — CID 50923303

IUPAC1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1ccc2cc(C)c(Nc3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C19H21N3/c1-13-5-6-15-12-14(2)19(21-18(15)11-13)20-16-7-9-17(10-8-16)22(3)4/h5-12H,1-4H3,(H,20,21)
InChIKeyRTYNYUXKRYWKHC-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.66
Rot. Bonds3

About 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 50923303) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID50923303
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1ccc2cc(C)c(Nc3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C19H21N3/c1-13-5-6-15-12-14(2)19(21-18(15)11-13)20-16-7-9-17(10-8-16)22(3)4/h5-12H,1-4H3,(H,20,21)
InChIKeyRTYNYUXKRYWKHC-UHFFFAOYSA-N
XLogP4.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
N-(2,5-dimethoxyphenyl)-3,7-dimethylquinolin-2-amine
CID 872106
N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine
CID 50923299
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
CID 50754562
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
4-N-[4-(dimethylamino)phenyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80789763
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
3-N,3-N,6-N-trimethylacridine-3,6-diamine
CID 59205810
4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
CID 82536280
4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 70359726
3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
CID 102756297
2-[4-(dimethylamino)anilino]-4-methylbenzonitrile
CID 55057077

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 50923303) is 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1ccc2cc(C)c(Nc3ccc(N(C)C)cc3)nc2c1.
What is the InChIKey of 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is RTYNYUXKRYWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13-5-6-15-12-14(2)19(21-18(15)11-13)20-16-7-9-17(10-8-16)22(3)4/h5-12H,1-4H3,(H,20,21).
What are the key properties of 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 291.40 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 50923303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).