1-quinolin-4-yl-3-quinolin-6-ylurea

C19H14N4O — CID 18475500

IUPAC1-quinolin-4-yl-3-quinolin-6-ylurea
SMILESO=C(Nc1ccc2ncccc2c1)Nc1ccnc2ccccc12
InChIInChI=1S/C19H14N4O/c24-19(22-14-7-8-16-13(12-14)4-3-10-20-16)23-18-9-11-21-17-6-2-1-5-15(17)18/h1-12H,(H2,21,22,23,24)
InChIKeyLAHXDFIZHSFSOI-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.43
Rot. Bonds2

About 1-quinolin-4-yl-3-quinolin-6-ylurea

1-quinolin-4-yl-3-quinolin-6-ylurea (PubChem CID 18475500) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-quinolin-4-yl-3-quinolin-6-ylurea.

Molecular Properties

Compound Name1-quinolin-4-yl-3-quinolin-6-ylurea
PubChem CID18475500
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name1-quinolin-4-yl-3-quinolin-6-ylurea
SMILESO=C(Nc1ccc2ncccc2c1)Nc1ccnc2ccccc12
InChIInChI=1S/C19H14N4O/c24-19(22-14-7-8-16-13(12-14)4-3-10-20-16)23-18-9-11-21-17-6-2-1-5-15(17)18/h1-12H,(H2,21,22,23,24)
InChIKeyLAHXDFIZHSFSOI-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-4-yl-3-quinolin-6-ylurea?
The IUPAC name of 1-quinolin-4-yl-3-quinolin-6-ylurea (CID 18475500) is 1-quinolin-4-yl-3-quinolin-6-ylurea.
What is the SMILES notation for 1-quinolin-4-yl-3-quinolin-6-ylurea?
The canonical SMILES for 1-quinolin-4-yl-3-quinolin-6-ylurea is O=C(Nc1ccc2ncccc2c1)Nc1ccnc2ccccc12.
What is the InChIKey of 1-quinolin-4-yl-3-quinolin-6-ylurea?
The InChIKey is LAHXDFIZHSFSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(22-14-7-8-16-13(12-14)4-3-10-20-16)23-18-9-11-21-17-6-2-1-5-15(17)18/h1-12H,(H2,21,22,23,24).
What are the key properties of 1-quinolin-4-yl-3-quinolin-6-ylurea?
1-quinolin-4-yl-3-quinolin-6-ylurea has a molecular weight of 314.35 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-4-yl-3-quinolin-6-ylurea is sourced from PubChem (CID 18475500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).