1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea

C19H22N4O4 — CID 53476703

IUPAC1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
SMILESCc1ccc(CNC(=O)Nc2cccc3c2OCC(=O)N3)c(OC(C)C)n1
InChIInChI=1S/C19H22N4O4/c1-11(2)27-18-13(8-7-12(3)21-18)9-20-19(25)23-15-6-4-5-14-17(15)26-10-16(24)22-14/h4-8,11H,9-10H2,1-3H3,(H,22,24)(H2,20,23,25)
InChIKeySJSPWHAHNQXXCJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.83
Rot. Bonds5

About 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea

1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea (PubChem CID 53476703) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea.

Molecular Properties

Compound Name1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
PubChem CID53476703
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
SMILESCc1ccc(CNC(=O)Nc2cccc3c2OCC(=O)N3)c(OC(C)C)n1
InChIInChI=1S/C19H22N4O4/c1-11(2)27-18-13(8-7-12(3)21-18)9-20-19(25)23-15-6-4-5-14-17(15)26-10-16(24)22-14/h4-8,11H,9-10H2,1-3H3,(H,22,24)(H2,20,23,25)
InChIKeySJSPWHAHNQXXCJ-UHFFFAOYSA-N
XLogP2.83
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 53476470
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630221
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630222
1-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-5-ylurea
CID 71237021
1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea
CID 166365849
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630261
3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide
CID 110309247
N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide
CID 126797223
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110630241
methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
CID 117346035
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
CID 110291818

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea?
The IUPAC name of 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea (CID 53476703) is 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea.
What is the SMILES notation for 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea?
The canonical SMILES for 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea is Cc1ccc(CNC(=O)Nc2cccc3c2OCC(=O)N3)c(OC(C)C)n1.
What is the InChIKey of 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea?
The InChIKey is SJSPWHAHNQXXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11(2)27-18-13(8-7-12(3)21-18)9-20-19(25)23-15-6-4-5-14-17(15)26-10-16(24)22-14/h4-8,11H,9-10H2,1-3H3,(H,22,24)(H2,20,23,25).
What are the key properties of 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea?
1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea has a molecular weight of 370.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea is sourced from PubChem (CID 53476703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).