4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C25H24N4O3 — CID 42641176

IUPAC4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(N[C@H](CO)Cc4ccccc4)ccc3c2)ccn1
InChIInChI=1S/C25H24N4O3/c1-26-25(31)23-15-21(11-12-27-23)32-20-8-9-22-18(14-20)7-10-24(29-22)28-19(16-30)13-17-5-3-2-4-6-17/h2-12,14-15,19,30H,13,16H2,1H3,(H,26,31)(H,28,29)/t19-/m0/s1
InChIKeyGYUFMRGHHDDBOR-IBGZPJMESA-N
MW428.49 g/mol
LogP3.80
Rot. Bonds8

About 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 42641176) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID42641176
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(N[C@H](CO)Cc4ccccc4)ccc3c2)ccn1
InChIInChI=1S/C25H24N4O3/c1-26-25(31)23-15-21(11-12-27-23)32-20-8-9-22-18(14-20)7-10-24(29-22)28-19(16-30)13-17-5-3-2-4-6-17/h2-12,14-15,19,30H,13,16H2,1H3,(H,26,31)(H,28,29)/t19-/m0/s1
InChIKeyGYUFMRGHHDDBOR-IBGZPJMESA-N
XLogP3.80
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155810675
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[[2-[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421242
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 59254883
N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821608

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 42641176) is 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(N[C@H](CO)Cc4ccccc4)ccc3c2)ccn1.
What is the InChIKey of 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is GYUFMRGHHDDBOR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24N4O3/c1-26-25(31)23-15-21(11-12-27-23)32-20-8-9-22-18(14-20)7-10-24(29-22)28-19(16-30)13-17-5-3-2-4-6-17/h2-12,14-15,19,30H,13,16H2,1H3,(H,26,31)(H,28,29)/t19-/m0/s1.
What are the key properties of 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 42641176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).