1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea

C22H23FN4O — CID 121318776

IUPAC1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H23FN4O/c1-15-2-5-17(6-3-15)25-22(28)26-18-9-12-27(13-10-18)21-8-11-24-20-7-4-16(23)14-19(20)21/h2-8,11,14,18H,9-10,12-13H2,1H3,(H2,25,26,28)
InChIKeyJURFRCPXTIXPGZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.47
Rot. Bonds3

About 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea

1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea (PubChem CID 121318776) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
PubChem CID121318776
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H23FN4O/c1-15-2-5-17(6-3-15)25-22(28)26-18-9-12-27(13-10-18)21-8-11-24-20-7-4-16(23)14-19(20)21/h2-8,11,14,18H,9-10,12-13H2,1H3,(H2,25,26,28)
InChIKeyJURFRCPXTIXPGZ-UHFFFAOYSA-N
XLogP4.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-phenylthiourea
CID 118729694
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid
CID 159618087
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
CID 121328340

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea (CID 121318776) is 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCN(c3ccnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea?
The InChIKey is JURFRCPXTIXPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-2-5-17(6-3-15)25-22(28)26-18-9-12-27(13-10-18)21-8-11-24-20-7-4-16(23)14-19(20)21/h2-8,11,14,18H,9-10,12-13H2,1H3,(H2,25,26,28).
What are the key properties of 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea?
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea has a molecular weight of 378.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 121318776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).