N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide

C19H23N3O2 — CID 154823374

IUPACN-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nccc(C(=O)N[C@H]3C[C@H]4CO[C@H](C)CN4C3)c2c1
InChIInChI=1S/C19H23N3O2/c1-12-3-4-18-17(7-12)16(5-6-20-18)19(23)21-14-8-15-11-24-13(2)9-22(15)10-14/h3-7,13-15H,8-11H2,1-2H3,(H,21,23)/t13-,14+,15+/m1/s1
InChIKeyNRHNNRROCHJGMH-ILXRZTDVSA-N
MW325.41 g/mol
LogP2.13
Rot. Bonds2

About N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide

N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide (PubChem CID 154823374) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide
PubChem CID154823374
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nccc(C(=O)N[C@H]3C[C@H]4CO[C@H](C)CN4C3)c2c1
InChIInChI=1S/C19H23N3O2/c1-12-3-4-18-17(7-12)16(5-6-20-18)19(23)21-14-8-15-11-24-13(2)9-22(15)10-14/h3-7,13-15H,8-11H2,1-2H3,(H,21,23)/t13-,14+,15+/m1/s1
InChIKeyNRHNNRROCHJGMH-ILXRZTDVSA-N
XLogP2.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methoxypyridine-4-carboxamide
CID 155498454
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylfuran-3-carboxamide
CID 155502422
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-chloro-2-methylbenzamide
CID 155505209
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide
CID 155496416
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3-methylphenyl)acetamide
CID 155497103
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-methoxy-2-methylbenzamide
CID 155500497
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylbenzamide
CID 155504487
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(1,2,4-triazol-4-yl)benzamide
CID 155919644
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-cyanobenzamide
CID 155505913
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154816747
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 155508732

Frequently Asked Questions

What is the IUPAC name of N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide?
The IUPAC name of N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide (CID 154823374) is N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide is Cc1ccc2nccc(C(=O)N[C@H]3C[C@H]4CO[C@H](C)CN4C3)c2c1.
What is the InChIKey of N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide?
The InChIKey is NRHNNRROCHJGMH-ILXRZTDVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-3-4-18-17(7-12)16(5-6-20-18)19(23)21-14-8-15-11-24-13(2)9-22(15)10-14/h3-7,13-15H,8-11H2,1-2H3,(H,21,23)/t13-,14+,15+/m1/s1.
What are the key properties of N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide?
N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 154823374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).