1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea

C17H15FN4O — CID 73055603

IUPAC1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
SMILESCc1cc(N)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1
InChIInChI=1S/C17H15FN4O/c1-10-8-15(19)14-9-13(6-7-16(14)20-10)22-17(23)21-12-4-2-11(18)3-5-12/h2-9H,1H3,(H2,19,20)(H2,21,22,23)
InChIKeyPCHQUGVDOUEULT-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.91
Rot. Bonds2

About 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea

1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea (PubChem CID 73055603) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
PubChem CID73055603
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
SMILESCc1cc(N)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1
InChIInChI=1S/C17H15FN4O/c1-10-8-15(19)14-9-13(6-7-16(14)20-10)22-17(23)21-12-4-2-11(18)3-5-12/h2-9H,1H3,(H2,19,20)(H2,21,22,23)
InChIKeyPCHQUGVDOUEULT-UHFFFAOYSA-N
XLogP3.91
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea (CID 73055603) is 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea is Cc1cc(N)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1.
What is the InChIKey of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea?
The InChIKey is PCHQUGVDOUEULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-8-15(19)14-9-13(6-7-16(14)20-10)22-17(23)21-12-4-2-11(18)3-5-12/h2-9H,1H3,(H2,19,20)(H2,21,22,23).
What are the key properties of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea?
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea has a molecular weight of 310.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 73055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).