1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea

C23H17N3O2 — CID 5306999

IUPAC1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea
SMILESO=C(Nc1cccc2cccnc12)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H17N3O2/c27-23(25-18-11-5-7-15-8-6-14-24-21(15)18)26-22-16-9-1-3-12-19(16)28-20-13-4-2-10-17(20)22/h1-14,22H,(H2,25,26,27)
InChIKeyKEHUVNROJOYREG-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.25
Rot. Bonds2

About 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea

1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea (PubChem CID 5306999) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea.

Molecular Properties

Compound Name1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea
PubChem CID5306999
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea
SMILESO=C(Nc1cccc2cccnc12)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H17N3O2/c27-23(25-18-11-5-7-15-8-6-14-24-21(15)18)26-22-16-9-1-3-12-19(16)28-20-13-4-2-10-17(20)22/h1-14,22H,(H2,25,26,27)
InChIKeyKEHUVNROJOYREG-UHFFFAOYSA-N
XLogP5.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
1-propyl-3-quinolin-8-ylurea
CID 13078451
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
1-[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3-quinoxalin-5-ylurea
CID 166399646
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 102230878
1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea?
The IUPAC name of 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea (CID 5306999) is 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea.
What is the SMILES notation for 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea?
The canonical SMILES for 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea is O=C(Nc1cccc2cccnc12)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea?
The InChIKey is KEHUVNROJOYREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-23(25-18-11-5-7-15-8-6-14-24-21(15)18)26-22-16-9-1-3-12-19(16)28-20-13-4-2-10-17(20)22/h1-14,22H,(H2,25,26,27).
What are the key properties of 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea?
1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea has a molecular weight of 367.41 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea is sourced from PubChem (CID 5306999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).