1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C21H32N4O — CID 142286391

IUPAC1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC/C(=C\N)CN1CCCc2cc(C(=O)NCC3CCNCC3)ccc21
InChIInChI=1S/C21H32N4O/c1-2-16(13-22)15-25-11-3-4-18-12-19(5-6-20(18)25)21(26)24-14-17-7-9-23-10-8-17/h5-6,12-13,17,23H,2-4,7-11,14-15,22H2,1H3,(H,24,26)/b16-13+
InChIKeyGUZJLAHJNUXWIP-DTQAZKPQSA-N
MW356.51 g/mol
LogP2.42
Rot. Bonds6

About 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 142286391) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID142286391
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC/C(=C\N)CN1CCCc2cc(C(=O)NCC3CCNCC3)ccc21
InChIInChI=1S/C21H32N4O/c1-2-16(13-22)15-25-11-3-4-18-12-19(5-6-20(18)25)21(26)24-14-17-7-9-23-10-8-17/h5-6,12-13,17,23H,2-4,7-11,14-15,22H2,1H3,(H,24,26)/b16-13+
InChIKeyGUZJLAHJNUXWIP-DTQAZKPQSA-N
XLogP2.42
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 134253868
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 175658269
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 134253881
1-[(E)-2-(aminomethyl)-3-(methylamino)prop-2-enyl]-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;ethane
CID 142286678
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
CID 103793623
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
CID 174760700

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 142286391) is 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide is CC/C(=C\N)CN1CCCc2cc(C(=O)NCC3CCNCC3)ccc21.
What is the InChIKey of 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is GUZJLAHJNUXWIP-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H32N4O/c1-2-16(13-22)15-25-11-3-4-18-12-19(5-6-20(18)25)21(26)24-14-17-7-9-23-10-8-17/h5-6,12-13,17,23H,2-4,7-11,14-15,22H2,1H3,(H,24,26)/b16-13+.
What are the key properties of 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 142286391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).