1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea

C20H19N5O2 — CID 42634103

IUPAC1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea
SMILESCCCn1[nH]c(=O)c2cc(NC(=O)Nc3cccc4cccnc34)ccc21
InChIInChI=1S/C20H19N5O2/c1-2-11-25-17-9-8-14(12-15(17)19(26)24-25)22-20(27)23-16-7-3-5-13-6-4-10-21-18(13)16/h3-10,12H,2,11H2,1H3,(H,24,26)(H2,22,23,27)
InChIKeyXRLOIIGFIDXTMJ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea

1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea (PubChem CID 42634103) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea
PubChem CID42634103
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea
SMILESCCCn1[nH]c(=O)c2cc(NC(=O)Nc3cccc4cccnc34)ccc21
InChIInChI=1S/C20H19N5O2/c1-2-11-25-17-9-8-14(12-15(17)19(26)24-25)22-20(27)23-16-7-3-5-13-6-4-10-21-18(13)16/h3-10,12H,2,11H2,1H3,(H,24,26)(H2,22,23,27)
InChIKeyXRLOIIGFIDXTMJ-UHFFFAOYSA-N
XLogP3.93
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-quinolin-8-ylurea
CID 108873409
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-quinolin-8-ylurea
CID 70038248

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea (CID 42634103) is 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea is CCCn1[nH]c(=O)c2cc(NC(=O)Nc3cccc4cccnc34)ccc21.
What is the InChIKey of 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea?
The InChIKey is XRLOIIGFIDXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-2-11-25-17-9-8-14(12-15(17)19(26)24-25)22-20(27)23-16-7-3-5-13-6-4-10-21-18(13)16/h3-10,12H,2,11H2,1H3,(H,24,26)(H2,22,23,27).
What are the key properties of 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea?
1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea has a molecular weight of 361.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1-propyl-2H-indazol-5-yl)-3-quinolin-8-ylurea is sourced from PubChem (CID 42634103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).