1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea

C19H18ClN3O2 — CID 126644832

IUPAC1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(2)21-19(24)22-15-5-7-16(8-6-15)25-18-10-3-13-11-14(20)4-9-17(13)23-18/h3-12H,1-2H3,(H2,21,22,24)
InChIKeyLRTJLLSYIJUELN-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.21
Rot. Bonds4

About 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea

1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea (PubChem CID 126644832) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea
PubChem CID126644832
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(2)21-19(24)22-15-5-7-16(8-6-15)25-18-10-3-13-11-14(20)4-9-17(13)23-18/h3-12H,1-2H3,(H2,21,22,24)
InChIKeyLRTJLLSYIJUELN-UHFFFAOYSA-N
XLogP5.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea
CID 166479432
3-[2-(4-chlorophenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 69119510
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
2-[[1-carboxy-2-[4-(6-chloroquinolin-2-yl)oxyphenyl]ethyl]amino]-6-chloroquinoline-3-carboxylic acid
CID 67377073
5-(6-chloroquinolin-2-yl)oxy-2-nitrobenzoic acid
CID 13337869
1-[2-[4-(ethylamino)phenoxy]quinolin-6-yl]ethanone
CID 68760579
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea
CID 126644895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea (CID 126644832) is 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea?
The InChIKey is LRTJLLSYIJUELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(2)21-19(24)22-15-5-7-16(8-6-15)25-18-10-3-13-11-14(20)4-9-17(13)23-18/h3-12H,1-2H3,(H2,21,22,24).
What are the key properties of 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea?
1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea has a molecular weight of 355.83 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 126644832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).