1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea

C19H18N4O — CID 18475509

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea
SMILESCN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21
InChIInChI=1S/C19H18N4O/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/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,24)
InChIKeyWMXWAVIGWYRTFK-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.87
Rot. Bonds2

About 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea

1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea (PubChem CID 18475509) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea
PubChem CID18475509
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea
SMILESCN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21
InChIInChI=1S/C19H18N4O/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/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,24)
InChIKeyWMXWAVIGWYRTFK-UHFFFAOYSA-N
XLogP3.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Terguride
CID 443951
Serdemetan
CID 11609586
Gsk163090
CID 11292933
Aminoquinuride
CID 71166
3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
CID 5163
PF-750
CID 25154868
1,3-Di-6-quinolylurea
CID 68281
A804598
CID 53325874
SB-408124
CID 4331799
Aminoquinuride hydrochloride
CID 79472
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616033
SB 200646 hydrochloride
CID 5311422

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea (CID 18475509) is 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea is CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea?
The InChIKey is WMXWAVIGWYRTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/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/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea?
1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea has a molecular weight of 318.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)-3-quinolin-4-ylurea is sourced from PubChem (CID 18475509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).