1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea

C26H22ClN5O3 — CID 174735084

IUPAC1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)c2ccc3nc(C4CNCCO4)cnc3c2)c1
InChIInChI=1S/C26H22ClN5O3/c27-18-4-2-6-20(13-18)31-26(34)30-19-5-1-3-16(11-19)25(33)17-7-8-21-22(12-17)29-14-23(32-21)24-15-28-9-10-35-24/h1-8,11-14,24,28H,9-10,15H2,(H2,30,31,34)
InChIKeyGINQRUHMKLWBAH-UHFFFAOYSA-N
MW487.95 g/mol
LogP4.82
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea

1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea (PubChem CID 174735084) has the molecular formula C26H22ClN5O3 and a molecular weight of 487.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea
PubChem CID174735084
Molecular FormulaC26H22ClN5O3
Molecular Weight487.95 g/mol
Exact Mass487.14
IUPAC Name1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)c2ccc3nc(C4CNCCO4)cnc3c2)c1
InChIInChI=1S/C26H22ClN5O3/c27-18-4-2-6-20(13-18)31-26(34)30-19-5-1-3-16(11-19)25(33)17-7-8-21-22(12-17)29-14-23(32-21)24-15-28-9-10-35-24/h1-8,11-14,24,28H,9-10,15H2,(H2,30,31,34)
InChIKeyGINQRUHMKLWBAH-UHFFFAOYSA-N
XLogP4.82
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea (CID 174735084) is 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)c2ccc3nc(C4CNCCO4)cnc3c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea?
The InChIKey is GINQRUHMKLWBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3/c27-18-4-2-6-20(13-18)31-26(34)30-19-5-1-3-16(11-19)25(33)17-7-8-21-22(12-17)29-14-23(32-21)24-15-28-9-10-35-24/h1-8,11-14,24,28H,9-10,15H2,(H2,30,31,34).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea?
1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 487.95 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 174735084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).