1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea

C20H18N4O — CID 44534255

IUPAC1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc3ccn(C)c3c2)c2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-13-11-18(16-5-3-4-6-17(16)21-13)23-20(25)22-15-8-7-14-9-10-24(2)19(14)12-15/h3-12H,1-2H3,(H2,21,22,23,25)
InChIKeyYNCHGDBUMXYDAQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.68
Rot. Bonds2

About 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea

1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 44534255) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea
PubChem CID44534255
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc3ccn(C)c3c2)c2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-13-11-18(16-5-3-4-6-17(16)21-13)23-20(25)22-15-8-7-14-9-10-24(2)19(14)12-15/h3-12H,1-2H3,(H2,21,22,23,25)
InChIKeyYNCHGDBUMXYDAQ-UHFFFAOYSA-N
XLogP4.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dactolisib
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Gsk163090
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Ko-947
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PF-750
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1,3-Di-6-quinolylurea
CID 68281
A804598
CID 53325874
SB 215505
CID 10449757
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616033
SB 200646 hydrochloride
CID 5311422
N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea
CID 126769
N-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 9977590
N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea (CID 44534255) is 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)Nc2ccc3ccn(C)c3c2)c2ccccc2n1.
What is the InChIKey of 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is YNCHGDBUMXYDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-11-18(16-5-3-4-6-17(16)21-13)23-20(25)22-15-8-7-14-9-10-24(2)19(14)12-15/h3-12H,1-2H3,(H2,21,22,23,25).
What are the key properties of 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea?
1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 330.39 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-6-yl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 44534255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).