1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride

C19H17ClN4O — CID 18475688

IUPAC1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
SMILESCl.Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21
InChIInChI=1S/C19H16N4O.ClH/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17;/h2-12H,1H3,(H2,20,21,22,24);1H
InChIKeyRUDGYVDNUPZDER-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.79
Rot. Bonds2

About 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride

1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride (PubChem CID 18475688) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
PubChem CID18475688
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
SMILESCl.Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21
InChIInChI=1S/C19H16N4O.ClH/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17;/h2-12H,1H3,(H2,20,21,22,24);1H
InChIKeyRUDGYVDNUPZDER-UHFFFAOYSA-N
XLogP4.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
CID 67733477
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride
CID 18475580
1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea
CID 18475499
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889780
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889793
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
1-[4-(N'-benzylcarbamimidoyl)phenyl]-3-(1-methylindol-5-yl)urea
CID 54074413
1-(3-carbamimidoylphenyl)-3-(1-methylindol-5-yl)urea;hydroiodide
CID 67768152
1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea
CID 54139254
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride?
The IUPAC name of 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride (CID 18475688) is 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride is Cl.Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21.
What is the InChIKey of 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride?
The InChIKey is RUDGYVDNUPZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.ClH/c1-23-11-9-13-12-14(6-7-18(13)23)21-19(24)22-17-8-10-20-16-5-3-2-4-15(16)17;/h2-12H,1H3,(H2,20,21,22,24);1H.
What are the key properties of 1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride?
1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 4.79, 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-quinolin-4-ylurea;hydrochloride is sourced from PubChem (CID 18475688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).