1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea

C24H23N5O4 — CID 155589318

IUPAC1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1ccc2nc(-c3cc[nH]c(=O)c3)c(-c3cc[nH]c(=O)c3)cc2c1
InChIInChI=1S/C24H23N5O4/c1-2-18(30)13-27-24(33)28-17-3-4-20-16(9-17)10-19(14-5-7-25-21(31)11-14)23(29-20)15-6-8-26-22(32)12-15/h3-12,18,30H,2,13H2,1H3,(H,25,31)(H,26,32)(H2,27,28,33)
InChIKeyGMUPNJMAHRQUTJ-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.84
Rot. Bonds6

About 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea

1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea (PubChem CID 155589318) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
PubChem CID155589318
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1ccc2nc(-c3cc[nH]c(=O)c3)c(-c3cc[nH]c(=O)c3)cc2c1
InChIInChI=1S/C24H23N5O4/c1-2-18(30)13-27-24(33)28-17-3-4-20-16(9-17)10-19(14-5-7-25-21(31)11-14)23(29-20)15-6-8-26-22(32)12-15/h3-12,18,30H,2,13H2,1H3,(H,25,31)(H,26,32)(H2,27,28,33)
InChIKeyGMUPNJMAHRQUTJ-UHFFFAOYSA-N
XLogP2.84
TPSA139.97 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
The IUPAC name of 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea (CID 155589318) is 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea.
What is the SMILES notation for 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
The canonical SMILES for 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea is CCC(O)CNC(=O)Nc1ccc2nc(-c3cc[nH]c(=O)c3)c(-c3cc[nH]c(=O)c3)cc2c1.
What is the InChIKey of 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
The InChIKey is GMUPNJMAHRQUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-2-18(30)13-27-24(33)28-17-3-4-20-16(9-17)10-19(14-5-7-25-21(31)11-14)23(29-20)15-6-8-26-22(32)12-15/h3-12,18,30H,2,13H2,1H3,(H,25,31)(H,26,32)(H2,27,28,33).
What are the key properties of 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea has a molecular weight of 445.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea is sourced from PubChem (CID 155589318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).