2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide

C30H31N3O2 — CID 32698444

IUPAC2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCC[C@H](C)c1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C30H31N3O2/c1-3-21(2)22-12-14-23(15-13-22)28-20-25(24-8-4-5-9-26(24)31-28)30(34)32-27-10-6-7-11-29(27)33-16-18-35-19-17-33/h4-15,20-21H,3,16-19H2,1-2H3,(H,32,34)/t21-/m0/s1
InChIKeyOFBLFFZEMUBUQF-NRFANRHFSA-N
MW465.60 g/mol
LogP6.50
Rot. Bonds6

About 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide

2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide (PubChem CID 32698444) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
PubChem CID32698444
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCC[C@H](C)c1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C30H31N3O2/c1-3-21(2)22-12-14-23(15-13-22)28-20-25(24-8-4-5-9-26(24)31-28)30(34)32-27-10-6-7-11-29(27)33-16-18-35-19-17-33/h4-15,20-21H,3,16-19H2,1-2H3,(H,32,34)/t21-/m0/s1
InChIKeyOFBLFFZEMUBUQF-NRFANRHFSA-N
XLogP6.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
2-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 2361912
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564
2-[4-[(2R)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 40574020
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
2-[4-[(2S)-butan-2-yl]phenyl]-N-[(Z)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5454997
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636
2-[4-[(2R)-butan-2-yl]phenyl]-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]quinoline-4-carboxamide
CID 29057547
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
CID 23828684

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide (CID 32698444) is 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide is CC[C@H](C)c1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The InChIKey is OFBLFFZEMUBUQF-NRFANRHFSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-3-21(2)22-12-14-23(15-13-22)28-20-25(24-8-4-5-9-26(24)31-28)30(34)32-27-10-6-7-11-29(27)33-16-18-35-19-17-33/h4-15,20-21H,3,16-19H2,1-2H3,(H,32,34)/t21-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 32698444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).