6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide

C26H35N7O3 — CID 155781997

IUPAC6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide
SMILES[H]/N=C/C(=C\N)c1ccc2ncc(C(=O)NC3CCN(C(=O)N4CCOCC4)CC3)c(NC(C)C)c2c1
InChIInChI=1S/C26H35N7O3/c1-17(2)30-24-21-13-18(19(14-27)15-28)3-4-23(21)29-16-22(24)25(34)31-20-5-7-32(8-6-20)26(35)33-9-11-36-12-10-33/h3-4,13-17,20,27H,5-12,28H2,1-2H3,(H,29,30)(H,31,34)/b19-15+,27-14+
InChIKeyTZHWULLEJQGUQN-SNLPOZJUSA-N
MW493.61 g/mol
LogP2.65
Rot. Bonds6

About 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide

6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide (PubChem CID 155781997) has the molecular formula C26H35N7O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide
PubChem CID155781997
Molecular FormulaC26H35N7O3
Molecular Weight493.61 g/mol
Exact Mass493.28
IUPAC Name6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide
SMILES[H]/N=C/C(=C\N)c1ccc2ncc(C(=O)NC3CCN(C(=O)N4CCOCC4)CC3)c(NC(C)C)c2c1
InChIInChI=1S/C26H35N7O3/c1-17(2)30-24-21-13-18(19(14-27)15-28)3-4-23(21)29-16-22(24)25(34)31-20-5-7-32(8-6-20)26(35)33-9-11-36-12-10-33/h3-4,13-17,20,27H,5-12,28H2,1-2H3,(H,29,30)(H,31,34)/b19-15+,27-14+
InChIKeyTZHWULLEJQGUQN-SNLPOZJUSA-N
XLogP2.65
TPSA136.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-acetamidocyclobutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155782016
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307811
2-chloro-N-cyclopropyl-5-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67035546
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 118788009
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea
CID 144521336
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
2-amino-N-(oxan-4-yl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 169087569
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide?
The IUPAC name of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide (CID 155781997) is 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide.
What is the SMILES notation for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide?
The canonical SMILES for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide is [H]/N=C/C(=C\N)c1ccc2ncc(C(=O)NC3CCN(C(=O)N4CCOCC4)CC3)c(NC(C)C)c2c1.
What is the InChIKey of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide?
The InChIKey is TZHWULLEJQGUQN-SNLPOZJUSA-N. The full InChI is InChI=1S/C26H35N7O3/c1-17(2)30-24-21-13-18(19(14-27)15-28)3-4-23(21)29-16-22(24)25(34)31-20-5-7-32(8-6-20)26(35)33-9-11-36-12-10-33/h3-4,13-17,20,27H,5-12,28H2,1-2H3,(H,29,30)(H,31,34)/b19-15+,27-14+.
What are the key properties of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide?
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 2.65, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-4-(propan-2-ylamino)quinoline-3-carboxamide is sourced from PubChem (CID 155781997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).