1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride

C16H18Cl2N4O2 — CID 87325728

IUPAC1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)Nc1cccc(Cl)n1
InChIInChI=1S/C16H17ClN4O2.ClH/c17-14-2-1-3-15(20-14)21-16(22)19-12-6-4-11(5-7-12)13-10-18-8-9-23-13;/h1-7,13,18H,8-10H2,(H2,19,20,21,22);1H
InChIKeyGLHMVAGLYSNPJE-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.46
Rot. Bonds3

About 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride

1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride (PubChem CID 87325728) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
PubChem CID87325728
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)Nc1cccc(Cl)n1
InChIInChI=1S/C16H17ClN4O2.ClH/c17-14-2-1-3-15(20-14)21-16(22)19-12-6-4-11(5-7-12)13-10-18-8-9-23-13;/h1-7,13,18H,8-10H2,(H2,19,20,21,22);1H
InChIKeyGLHMVAGLYSNPJE-UHFFFAOYSA-N
XLogP3.46
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67241922
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazin-2-amine
CID 86766846
1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67239601
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 67241056
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087965

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride (CID 87325728) is 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)Nc1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
The InChIKey is GLHMVAGLYSNPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2.ClH/c17-14-2-1-3-15(20-14)21-16(22)19-12-6-4-11(5-7-12)13-10-18-8-9-23-13;/h1-7,13,18H,8-10H2,(H2,19,20,21,22);1H.
What are the key properties of 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride has a molecular weight of 369.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride is sourced from PubChem (CID 87325728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).