N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide

C19H20ClN3O3 — CID 126770902

IUPACN-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide
SMILESCc1cnc2c(c1)N(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)CCO2
InChIInChI=1S/C19H20ClN3O3/c1-11(2)17(24)22-13-4-5-15(20)14(9-13)19(25)23-6-7-26-18-16(23)8-12(3)10-21-18/h4-5,8-11H,6-7H2,1-3H3,(H,22,24)
InChIKeyVORQVJWSCRXTBH-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.68
Rot. Bonds3

About N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide

N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide (PubChem CID 126770902) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide
PubChem CID126770902
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide
SMILESCc1cnc2c(c1)N(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)CCO2
InChIInChI=1S/C19H20ClN3O3/c1-11(2)17(24)22-13-4-5-15(20)14(9-13)19(25)23-6-7-26-18-16(23)8-12(3)10-21-18/h4-5,8-11H,6-7H2,1-3H3,(H,22,24)
InChIKeyVORQVJWSCRXTBH-UHFFFAOYSA-N
XLogP3.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide (CID 126770902) is N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide is Cc1cnc2c(c1)N(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)CCO2.
What is the InChIKey of N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide?
The InChIKey is VORQVJWSCRXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-11(2)17(24)22-13-4-5-15(20)14(9-13)19(25)23-6-7-26-18-16(23)8-12(3)10-21-18/h4-5,8-11H,6-7H2,1-3H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide?
N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide has a molecular weight of 373.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 126770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).