N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide

C26H31N3O3 — CID 110251738

IUPACN,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)Oc1ccccc1CN1CCOC(c2cc(C(=O)N(C)C)c3ccccc3n2)C1
InChIInChI=1S/C26H31N3O3/c1-18(2)32-24-12-8-5-9-19(24)16-29-13-14-31-25(17-29)23-15-21(26(30)28(3)4)20-10-6-7-11-22(20)27-23/h5-12,15,18,25H,13-14,16-17H2,1-4H3
InChIKeyYZUVUTRHMQFFRD-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.30
Rot. Bonds6

About N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide

N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 110251738) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
PubChem CID110251738
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)Oc1ccccc1CN1CCOC(c2cc(C(=O)N(C)C)c3ccccc3n2)C1
InChIInChI=1S/C26H31N3O3/c1-18(2)32-24-12-8-5-9-19(24)16-29-13-14-31-25(17-29)23-15-21(26(30)28(3)4)20-10-6-7-11-22(20)27-23/h5-12,15,18,25H,13-14,16-17H2,1-4H3
InChIKeyYZUVUTRHMQFFRD-UHFFFAOYSA-N
XLogP4.30
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638317
N,N-dimethyl-2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638391
N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92639051
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
2-[(2R)-4-(diethylsulfamoyl)morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638952
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638378
N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92639254
N,N-dimethyl-2-[4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251734

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide (CID 110251738) is N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide is CC(C)Oc1ccccc1CN1CCOC(c2cc(C(=O)N(C)C)c3ccccc3n2)C1.
What is the InChIKey of N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is YZUVUTRHMQFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18(2)32-24-12-8-5-9-19(24)16-29-13-14-31-25(17-29)23-15-21(26(30)28(3)4)20-10-6-7-11-22(20)27-23/h5-12,15,18,25H,13-14,16-17H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).