1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea

C19H20N4O — CID 22745152

IUPAC1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(N(C)C)c2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c1-13-11-18(16-9-4-5-10-17(16)20-13)22-19(24)21-14-7-6-8-15(12-14)23(2)3/h4-12H,1-3H3,(H2,20,21,22,24)
InChIKeyIKKJPORHYUTNHI-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.25
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea

1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea (PubChem CID 22745152) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea
PubChem CID22745152
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(N(C)C)c2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c1-13-11-18(16-9-4-5-10-17(16)20-13)22-19(24)21-14-7-6-8-15(12-14)23(2)3/h4-12H,1-3H3,(H2,20,21,22,24)
InChIKeyIKKJPORHYUTNHI-UHFFFAOYSA-N
XLogP4.25
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62344
Dequalinium
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3,6-Diamino-10-methylacridinium Chloride
CID 6842
Nitracrine
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Gsk163090
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Aminoquinuride
CID 71166
1-Acridinamine
CID 11352
Acetanilide, 4'-(9-acridinylamino)-
CID 47508
N-Methyl-9-acridinamine
CID 31503
PF-750
CID 25154868
Acridinium, 3,6-Diamino-10-Methyl-, Chloride, Hydrochloride (1:1:1)
CID 15558347
A804598
CID 53325874

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea (CID 22745152) is 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2cccc(N(C)C)c2)c2ccccc2n1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea?
The InChIKey is IKKJPORHYUTNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-11-18(16-9-4-5-10-17(16)20-13)22-19(24)21-14-7-6-8-15(12-14)23(2)3/h4-12H,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea?
1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea has a molecular weight of 320.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 22745152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).