1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea

C20H22N4O — CID 44534341

IUPAC1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea
SMILESCc1ccc2c(NC(=O)Nc3ccc(N(C)C)cc3)cc(C)nc2c1
InChIInChI=1S/C20H22N4O/c1-13-5-10-17-18(11-13)21-14(2)12-19(17)23-20(25)22-15-6-8-16(9-7-15)24(3)4/h5-12H,1-4H3,(H2,21,22,23,25)
InChIKeyZJWJYRAHGZDFJT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.56
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea

1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea (PubChem CID 44534341) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea
PubChem CID44534341
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea
SMILESCc1ccc2c(NC(=O)Nc3ccc(N(C)C)cc3)cc(C)nc2c1
InChIInChI=1S/C20H22N4O/c1-13-5-10-17-18(11-13)21-14(2)12-19(17)23-20(25)22-15-6-8-16(9-7-15)24(3)4/h5-12H,1-4H3,(H2,21,22,23,25)
InChIKeyZJWJYRAHGZDFJT-UHFFFAOYSA-N
XLogP4.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
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

Gsk163090
CID 11292933
Aminoquinuride
CID 71166
JP1302
CID 540335
Acetanilide, 4'-(9-acridinylamino)-
CID 47508
PF-750
CID 25154868
1,3-Di-6-quinolylurea
CID 68281
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N4-9-Acridinyl-N1,N1-dimethyl-1,4-benzenediamine
CID 25926
SB-408124
CID 4331799
9-(3'-Dimethylaminopropylamino)acridine
CID 14169
N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 657093
1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea (CID 44534341) is 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea is Cc1ccc2c(NC(=O)Nc3ccc(N(C)C)cc3)cc(C)nc2c1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea?
The InChIKey is ZJWJYRAHGZDFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-5-10-17-18(11-13)21-14(2)12-19(17)23-20(25)22-15-6-8-16(9-7-15)24(3)4/h5-12H,1-4H3,(H2,21,22,23,25).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea?
1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea has a molecular weight of 334.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(2,7-dimethylquinolin-4-yl)urea is sourced from PubChem (CID 44534341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).