1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea

C20H19N3O2 — CID 111751216

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
SMILESO=C(NCc1ccnc2ccccc12)NC1c2ccccc2CC1O
InChIInChI=1S/C20H19N3O2/c24-18-11-13-5-1-2-7-16(13)19(18)23-20(25)22-12-14-9-10-21-17-8-4-3-6-15(14)17/h1-10,18-19,24H,11-12H2,(H2,22,23,25)
InChIKeyNBQHQIFQHCLKBE-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea (PubChem CID 111751216) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
PubChem CID111751216
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
SMILESO=C(NCc1ccnc2ccccc12)NC1c2ccccc2CC1O
InChIInChI=1S/C20H19N3O2/c24-18-11-13-5-1-2-7-16(13)19(18)23-20(25)22-12-14-9-10-21-17-8-4-3-6-15(14)17/h1-10,18-19,24H,11-12H2,(H2,22,23,25)
InChIKeyNBQHQIFQHCLKBE-UHFFFAOYSA-N
XLogP2.69
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111117251
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
CID 111104314
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111508356
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904230
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
CID 71862995
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111509352
1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110911011
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea (CID 111751216) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea is O=C(NCc1ccnc2ccccc12)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea?
The InChIKey is NBQHQIFQHCLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18-11-13-5-1-2-7-16(13)19(18)23-20(25)22-12-14-9-10-21-17-8-4-3-6-15(14)17/h1-10,18-19,24H,11-12H2,(H2,22,23,25).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea has a molecular weight of 333.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea is sourced from PubChem (CID 111751216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).