1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea

C14H17N3O2 — CID 110909300

IUPAC1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
SMILESCC(CO)NC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C14H17N3O2/c1-10(9-18)17-14(19)16-8-12-5-2-4-11-6-3-7-15-13(11)12/h2-7,10,18H,8-9H2,1H3,(H2,16,17,19)
InChIKeyNPVMEDGZSBGCRP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea

1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea (PubChem CID 110909300) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
PubChem CID110909300
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
SMILESCC(CO)NC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C14H17N3O2/c1-10(9-18)17-14(19)16-8-12-5-2-4-11-6-3-7-15-13(11)12/h2-7,10,18H,8-9H2,1H3,(H2,16,17,19)
InChIKeyNPVMEDGZSBGCRP-UHFFFAOYSA-N
XLogP1.41
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
CID 97221268
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 71869938
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea (CID 110909300) is 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea is CC(CO)NC(=O)NCc1cccc2cccnc12.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea?
The InChIKey is NPVMEDGZSBGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(9-18)17-14(19)16-8-12-5-2-4-11-6-3-7-15-13(11)12/h2-7,10,18H,8-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea?
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 110909300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).