N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide

C29H26ClFN4O4 — CID 174226695

IUPACN-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide
SMILESCOC(CCNC(=O)c1ccccc1O)c1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C29H26ClFN4O4/c1-38-27(9-11-33-29(37)20-4-2-3-5-26(20)36)24-15-19(8-10-32-24)35-12-13-39-28-17-34-23(16-25(28)35)21-14-18(30)6-7-22(21)31/h2-8,10,14-17,27,36H,9,11-13H2,1H3,(H,33,37)
InChIKeyCWCALHQBGVFUBF-UHFFFAOYSA-N
MW549.00 g/mol
LogP5.68
Rot. Bonds8

About N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide

N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide (PubChem CID 174226695) has the molecular formula C29H26ClFN4O4 and a molecular weight of 549.00 g/mol. Its IUPAC name is N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide
PubChem CID174226695
Molecular FormulaC29H26ClFN4O4
Molecular Weight549.00 g/mol
Exact Mass548.16
IUPAC NameN-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide
SMILESCOC(CCNC(=O)c1ccccc1O)c1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C29H26ClFN4O4/c1-38-27(9-11-33-29(37)20-4-2-3-5-26(20)36)24-15-19(8-10-32-24)35-12-13-39-28-17-34-23(16-25(28)35)21-14-18(30)6-7-22(21)31/h2-8,10,14-17,27,36H,9,11-13H2,1H3,(H,33,37)
InChIKeyCWCALHQBGVFUBF-UHFFFAOYSA-N
XLogP5.68
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.00
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide with MolForge

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Related Compounds

N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propyl]-2-hydroxybenzamide
CID 174226698
N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(dimethylamino)propanamide
CID 171419239
4-[5-(5-chloro-2-fluorophenyl)-2H-[1,3]oxazolo[4,5-d]pyrimidin-3-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 142874298
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
5-chloro-2-hydroxy-N-(morpholin-4-ylmethyl)benzamide
CID 86181913
5-chloro-2-hydroxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 30830336
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone
CID 110639427

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide (CID 174226695) is N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide is COC(CCNC(=O)c1ccccc1O)c1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1.
What is the InChIKey of N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide?
The InChIKey is CWCALHQBGVFUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN4O4/c1-38-27(9-11-33-29(37)20-4-2-3-5-26(20)36)24-15-19(8-10-32-24)35-12-13-39-28-17-34-23(16-25(28)35)21-14-18(30)6-7-22(21)31/h2-8,10,14-17,27,36H,9,11-13H2,1H3,(H,33,37).
What are the key properties of N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide?
N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide has a molecular weight of 549.00 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropyl]-2-hydroxybenzamide is sourced from PubChem (CID 174226695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).