1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea

C19H16N4O — CID 67835168

IUPAC1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
SMILESCc1cc2cc(NC(=O)Nc3ccc4ncccc4c3)ccc2[nH]1
InChIInChI=1S/C19H16N4O/c1-12-9-14-11-16(5-7-18(14)21-12)23-19(24)22-15-4-6-17-13(10-15)3-2-8-20-17/h2-11,21H,1H3,(H2,22,23,24)
InChIKeyQPGOKXVQOUBOCL-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.67
Rot. Bonds2

About 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea

1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea (PubChem CID 67835168) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
PubChem CID67835168
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
SMILESCc1cc2cc(NC(=O)Nc3ccc4ncccc4c3)ccc2[nH]1
InChIInChI=1S/C19H16N4O/c1-12-9-14-11-16(5-7-18(14)21-12)23-19(24)22-15-4-6-17-13(10-15)3-2-8-20-17/h2-11,21H,1H3,(H2,22,23,24)
InChIKeyQPGOKXVQOUBOCL-UHFFFAOYSA-N
XLogP4.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-1H-indol-6-yl)-3-(1,5-naphthyridin-4-yl)urea;hydrochloride
CID 141233413
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
N-quinolin-6-ylbenzamide
CID 833617
N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085227
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
CID 62636014
2-chloro-N-quinolin-6-ylacetamide
CID 3144388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea?
The IUPAC name of 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea (CID 67835168) is 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea.
What is the SMILES notation for 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea?
The canonical SMILES for 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea is Cc1cc2cc(NC(=O)Nc3ccc4ncccc4c3)ccc2[nH]1.
What is the InChIKey of 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea?
The InChIKey is QPGOKXVQOUBOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-9-14-11-16(5-7-18(14)21-12)23-19(24)22-15-4-6-17-13(10-15)3-2-8-20-17/h2-11,21H,1H3,(H2,22,23,24).
What are the key properties of 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea?
1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea has a molecular weight of 316.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea is sourced from PubChem (CID 67835168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).