1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea

C19H19ClN4O2 — CID 10067783

IUPAC1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea
SMILESNc1ccc2cccc(OCCCNC(=O)Nc3cccc(Cl)c3)c2n1
InChIInChI=1S/C19H19ClN4O2/c20-14-5-2-6-15(12-14)23-19(25)22-10-3-11-26-16-7-1-4-13-8-9-17(21)24-18(13)16/h1-2,4-9,12H,3,10-11H2,(H2,21,24)(H2,22,23,25)
InChIKeyOYPLJTKBROYZGQ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.06
Rot. Bonds6

About 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea

1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea (PubChem CID 10067783) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea
PubChem CID10067783
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea
SMILESNc1ccc2cccc(OCCCNC(=O)Nc3cccc(Cl)c3)c2n1
InChIInChI=1S/C19H19ClN4O2/c20-14-5-2-6-15(12-14)23-19(25)22-10-3-11-26-16-7-1-4-13-8-9-17(21)24-18(13)16/h1-2,4-9,12H,3,10-11H2,(H2,21,24)(H2,22,23,25)
InChIKeyOYPLJTKBROYZGQ-UHFFFAOYSA-N
XLogP4.06
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

PQ-401
CID 9549305
8-(3-Methyl-cyclohexyloxy)-quinolin-2-ylamine
CID 10038053
8-(4-Methyl-cyclohexyloxy)-quinolin-2-ylamine
CID 10244148
8-sec-Butoxy-quinolin-2-ylamine
CID 10262766
8-Cycloheptyloxy-quinolin-2-ylamine
CID 10332650
8-Pentyloxy-quinolin-2-ylamine
CID 10353806
8-(1-Ethyl-propoxy)-quinolin-2-ylamine
CID 10353807
8-(2-Ethyl-1-methyl-butoxy)-quinolin-2-ylamine
CID 10377822
8-(3-Methoxy-3-methyl-butoxy)-quinolin-2-ylamine
CID 10377914
8-Cyclohexyloxy-quinolin-2-ylamine
CID 10399494
8-Hexyloxy-quinolin-2-ylamine
CID 10421932
8-Butoxy-quinolin-2-ylamine
CID 10443307

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea (CID 10067783) is 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea is Nc1ccc2cccc(OCCCNC(=O)Nc3cccc(Cl)c3)c2n1.
What is the InChIKey of 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea?
The InChIKey is OYPLJTKBROYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-14-5-2-6-15(12-14)23-19(25)22-10-3-11-26-16-7-1-4-13-8-9-17(21)24-18(13)16/h1-2,4-9,12H,3,10-11H2,(H2,21,24)(H2,22,23,25).
What are the key properties of 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea?
1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea has a molecular weight of 370.84 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 10067783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).