1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

C19H20ClN5O4 — CID 47033881

IUPAC1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESO=C1COc2cc(NC(=O)NCc3cccnc3N3CCOCC3)c(Cl)cc2N1
InChIInChI=1S/C19H20ClN5O4/c20-13-8-15-16(29-11-17(26)23-15)9-14(13)24-19(27)22-10-12-2-1-3-21-18(12)25-4-6-28-7-5-25/h1-3,8-9H,4-7,10-11H2,(H,23,26)(H2,22,24,27)
InChIKeyDRZMEBLUKNIOAD-UHFFFAOYSA-N
MW417.85 g/mol
LogP2.22
Rot. Bonds4

About 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (PubChem CID 47033881) has the molecular formula C19H20ClN5O4 and a molecular weight of 417.85 g/mol. Its IUPAC name is 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
PubChem CID47033881
Molecular FormulaC19H20ClN5O4
Molecular Weight417.85 g/mol
Exact Mass417.12
IUPAC Name1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESO=C1COc2cc(NC(=O)NCc3cccnc3N3CCOCC3)c(Cl)cc2N1
InChIInChI=1S/C19H20ClN5O4/c20-13-8-15-16(29-11-17(26)23-15)9-14(13)24-19(27)22-10-12-2-1-3-21-18(12)25-4-6-28-7-5-25/h1-3,8-9H,4-7,10-11H2,(H,23,26)(H2,22,24,27)
InChIKeyDRZMEBLUKNIOAD-UHFFFAOYSA-N
XLogP2.22
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55695181
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-hexylurea
CID 47033887
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
6-chloro-7-(pyridin-2-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 43692882
(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55584393
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (CID 47033881) is 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is O=C1COc2cc(NC(=O)NCc3cccnc3N3CCOCC3)c(Cl)cc2N1.
What is the InChIKey of 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The InChIKey is DRZMEBLUKNIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4/c20-13-8-15-16(29-11-17(26)23-15)9-14(13)24-19(27)22-10-12-2-1-3-21-18(12)25-4-6-28-7-5-25/h1-3,8-9H,4-7,10-11H2,(H,23,26)(H2,22,24,27).
What are the key properties of 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea has a molecular weight of 417.85 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 47033881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).