N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C24H26N4O2 — CID 166189128

IUPACN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCC1CN2CCCCC2CO1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H26N4O2/c29-24(26-14-19-15-28-12-4-3-5-18(28)16-30-19)21-13-23(17-8-10-25-11-9-17)27-22-7-2-1-6-20(21)22/h1-2,6-11,13,18-19H,3-5,12,14-16H2,(H,26,29)
InChIKeyDWWWRFBKFUUWMY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.28
Rot. Bonds4

About N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 166189128) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID166189128
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCC1CN2CCCCC2CO1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H26N4O2/c29-24(26-14-19-15-28-12-4-3-5-18(28)16-30-19)21-13-23(17-8-10-25-11-9-17)27-22-7-2-1-6-20(21)22/h1-2,6-11,13,18-19H,3-5,12,14-16H2,(H,26,29)
InChIKeyDWWWRFBKFUUWMY-UHFFFAOYSA-N
XLogP3.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166203947
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyridine-4-carboxamide
CID 49097696
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-hydroxybenzamide
CID 78986367
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyridine-2-carboxamide
CID 94810936
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-methylbenzamide
CID 94822337
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-bromobenzamide
CID 98750637
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 166189128) is N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCC1CN2CCCCC2CO1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DWWWRFBKFUUWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(26-14-19-15-28-12-4-3-5-18(28)16-30-19)21-13-23(17-8-10-25-11-9-17)27-22-7-2-1-6-20(21)22/h1-2,6-11,13,18-19H,3-5,12,14-16H2,(H,26,29).
What are the key properties of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 166189128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).