1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea

C20H19N7O — CID 150978357

IUPAC1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1
InChIInChI=1S/C20H19N7O/c1-13(2)27-12-21-26-19(27)16-8-5-9-17(23-16)24-20(28)25-18-11-10-14-6-3-4-7-15(14)22-18/h3-13H,1-2H3,(H2,22,23,24,25,28)
InChIKeyLPOKUOXGOODHMB-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.11
Rot. Bonds4

About 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea

1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea (PubChem CID 150978357) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea
PubChem CID150978357
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1
InChIInChI=1S/C20H19N7O/c1-13(2)27-12-21-26-19(27)16-8-5-9-17(23-16)24-20(28)25-18-11-10-14-6-3-4-7-15(14)22-18/h3-13H,1-2H3,(H2,22,23,24,25,28)
InChIKeyLPOKUOXGOODHMB-UHFFFAOYSA-N
XLogP4.11
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea?
The IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea (CID 150978357) is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea.
What is the SMILES notation for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea?
The canonical SMILES for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1.
What is the InChIKey of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea?
The InChIKey is LPOKUOXGOODHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13(2)27-12-21-26-19(27)16-8-5-9-17(23-16)24-20(28)25-18-11-10-14-6-3-4-7-15(14)22-18/h3-13H,1-2H3,(H2,22,23,24,25,28).
What are the key properties of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea?
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea has a molecular weight of 373.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-quinolin-2-ylurea is sourced from PubChem (CID 150978357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).