1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride

C20H19ClN4O — CID 67733477

IUPAC1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
SMILESCc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)c2ccccc2n1.Cl
InChIInChI=1S/C20H18N4O.ClH/c1-13-11-18(16-5-3-4-6-17(16)21-13)23-20(25)22-15-7-8-19-14(12-15)9-10-24(19)2;/h3-12H,1-2H3,(H2,21,22,23,25);1H
InChIKeyZZBDKQICSVHGDA-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.10
Rot. Bonds2

About 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride

1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride (PubChem CID 67733477) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
PubChem CID67733477
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
SMILESCc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)c2ccccc2n1.Cl
InChIInChI=1S/C20H18N4O.ClH/c1-13-11-18(16-5-3-4-6-17(16)21-13)23-20(25)22-15-7-8-19-14(12-15)9-10-24(19)2;/h3-12H,1-2H3,(H2,21,22,23,25);1H
InChIKeyZZBDKQICSVHGDA-UHFFFAOYSA-N
XLogP5.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride?
The IUPAC name of 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride (CID 67733477) is 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride.
What is the SMILES notation for 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride?
The canonical SMILES for 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride is Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)c2ccccc2n1.Cl.
What is the InChIKey of 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride?
The InChIKey is ZZBDKQICSVHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.ClH/c1-13-11-18(16-5-3-4-6-17(16)21-13)23-20(25)22-15-7-8-19-14(12-15)9-10-24(19)2;/h3-12H,1-2H3,(H2,21,22,23,25);1H.
What are the key properties of 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride?
1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride is sourced from PubChem (CID 67733477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).