1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea

C19H25N3O3 — CID 97282429

IUPAC1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea
SMILESO=C(NC[C@H](O)COC1CCCCC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H25N3O3/c23-16(13-25-17-6-2-1-3-7-17)12-21-19(24)22-15-8-9-18-14(11-15)5-4-10-20-18/h4-5,8-11,16-17,23H,1-3,6-7,12-13H2,(H2,21,22,24)/t16-/m0/s1
InChIKeyCHAQYNDBOVELBH-INIZCTEOSA-N
MW343.43 g/mol
LogP3.07
Rot. Bonds6

About 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea

1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea (PubChem CID 97282429) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea.

Molecular Properties

Compound Name1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea
PubChem CID97282429
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea
SMILESO=C(NC[C@H](O)COC1CCCCC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H25N3O3/c23-16(13-25-17-6-2-1-3-7-17)12-21-19(24)22-15-8-9-18-14(11-15)5-4-10-20-18/h4-5,8-11,16-17,23H,1-3,6-7,12-13H2,(H2,21,22,24)/t16-/m0/s1
InChIKeyCHAQYNDBOVELBH-INIZCTEOSA-N
XLogP3.07
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea with MolForge

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Related Compounds

1-[(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)methyl]-3-quinolin-6-ylurea
CID 53277010
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
1-[2-(1,3-dioxoisoindol-2-yl)-2-phenylethyl]-3-quinolin-6-ylurea
CID 50740498
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
CID 62636014
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
benzyl 4-[2-hydroxy-3-(quinolin-6-ylamino)propoxy]butanoate
CID 155061664

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea?
The IUPAC name of 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea (CID 97282429) is 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea.
What is the SMILES notation for 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea?
The canonical SMILES for 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea is O=C(NC[C@H](O)COC1CCCCC1)Nc1ccc2ncccc2c1.
What is the InChIKey of 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea?
The InChIKey is CHAQYNDBOVELBH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-16(13-25-17-6-2-1-3-7-17)12-21-19(24)22-15-8-9-18-14(11-15)5-4-10-20-18/h4-5,8-11,16-17,23H,1-3,6-7,12-13H2,(H2,21,22,24)/t16-/m0/s1.
What are the key properties of 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea?
1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea has a molecular weight of 343.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-3-quinolin-6-ylurea is sourced from PubChem (CID 97282429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).