1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea

C20H22N4O2 — CID 18475543

IUPAC1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea
SMILESCC(O)c1cccc2c(NC(=O)Nc3ccc(N(C)C)cc3)ccnc12
InChIInChI=1S/C20H22N4O2/c1-13(25)16-5-4-6-17-18(11-12-21-19(16)17)23-20(26)22-14-7-9-15(10-8-14)24(2)3/h4-13,25H,1-3H3,(H2,21,22,23,26)
InChIKeyFGXOJBARLLGFTA-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.00
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea

1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea (PubChem CID 18475543) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea
PubChem CID18475543
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea
SMILESCC(O)c1cccc2c(NC(=O)Nc3ccc(N(C)C)cc3)ccnc12
InChIInChI=1S/C20H22N4O2/c1-13(25)16-5-4-6-17-18(11-12-21-19(16)17)23-20(26)22-14-7-9-15(10-8-14)24(2)3/h4-13,25H,1-3H3,(H2,21,22,23,26)
InChIKeyFGXOJBARLLGFTA-UHFFFAOYSA-N
XLogP4.00
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea (CID 18475543) is 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea is CC(O)c1cccc2c(NC(=O)Nc3ccc(N(C)C)cc3)ccnc12.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea?
The InChIKey is FGXOJBARLLGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(25)16-5-4-6-17-18(11-12-21-19(16)17)23-20(26)22-14-7-9-15(10-8-14)24(2)3/h4-13,25H,1-3H3,(H2,21,22,23,26).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea?
1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea has a molecular weight of 350.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[8-(1-hydroxyethyl)quinolin-4-yl]urea is sourced from PubChem (CID 18475543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).