1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride

C18H16ClN5O — CID 141233413

IUPAC1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride
SMILESCc1cc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2[nH]1.Cl
InChIInChI=1S/C18H15N5O.ClH/c1-11-9-12-4-5-13(10-16(12)21-11)22-18(24)23-15-6-8-19-14-3-2-7-20-17(14)15;/h2-10,21H,1H3,(H2,19,22,23,24);1H
InChIKeySRHBAYNWIPYKTD-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.49
Rot. Bonds2

About 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride

1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride (PubChem CID 141233413) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride
PubChem CID141233413
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride
SMILESCc1cc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2[nH]1.Cl
InChIInChI=1S/C18H15N5O.ClH/c1-11-9-12-4-5-13(10-16(12)21-11)22-18(24)23-15-6-8-19-14-3-2-7-20-17(14)15;/h2-10,21H,1H3,(H2,19,22,23,24);1H
InChIKeySRHBAYNWIPYKTD-UHFFFAOYSA-N
XLogP4.49
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride?
The IUPAC name of 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride (CID 141233413) is 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride.
What is the SMILES notation for 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride?
The canonical SMILES for 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride is Cc1cc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2[nH]1.Cl.
What is the InChIKey of 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride?
The InChIKey is SRHBAYNWIPYKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.ClH/c1-11-9-12-4-5-13(10-16(12)21-11)22-18(24)23-15-6-8-19-14-3-2-7-20-17(14)15;/h2-10,21H,1H3,(H2,19,22,23,24);1H.
What are the key properties of 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride?
1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride has a molecular weight of 353.81 g/mol, XLogP of 4.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride is sourced from PubChem (CID 141233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).