2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide

C28H34N4O — CID 4590564

IUPAC2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
SMILESCCC(C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H34N4O/c1-5-20(4)21-10-12-22(13-11-21)27-18-25(24-8-6-7-9-26(24)29-27)28(33)31-30-23-14-16-32(17-15-23)19(2)3/h6-13,18-20H,5,14-17H2,1-4H3,(H,31,33)
InChIKeyGMWXPHAZFWNGSP-UHFFFAOYSA-N
MW442.61 g/mol
LogP6.01
Rot. Bonds6

About 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide

2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide (PubChem CID 4590564) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
PubChem CID4590564
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
SMILESCCC(C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C28H34N4O/c1-5-20(4)21-10-12-22(13-11-21)27-18-25(24-8-6-7-9-26(24)29-27)28(33)31-30-23-14-16-32(17-15-23)19(2)3/h6-13,18-20H,5,14-17H2,1-4H3,(H,31,33)
InChIKeyGMWXPHAZFWNGSP-UHFFFAOYSA-N
XLogP6.01
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide with MolForge

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 40574020
2-[4-[(2R)-butan-2-yl]phenyl]-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]quinoline-4-carboxamide
CID 29057547
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
2-[4-[(2S)-butan-2-yl]phenyl]-N-[(Z)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5454997
2-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 32698444
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924260
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide (CID 4590564) is 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide is CCC(C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide?
The InChIKey is GMWXPHAZFWNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-5-20(4)21-10-12-22(13-11-21)27-18-25(24-8-6-7-9-26(24)29-27)28(33)31-30-23-14-16-32(17-15-23)19(2)3/h6-13,18-20H,5,14-17H2,1-4H3,(H,31,33).
What are the key properties of 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide?
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide is sourced from PubChem (CID 4590564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).