3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C27H24N6O — CID 154656358

IUPAC3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESC=C/C=C(\N=C)C(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C27H24N6O/c1-4-9-21(29-3)17(2)31-27(34)25-26(28)33-23(18-10-6-5-7-11-18)24(32-25)20-13-14-22-19(16-20)12-8-15-30-22/h4-17H,1,3H2,2H3,(H2,28,33)(H,31,34)/b21-9-
InChIKeyADDZCJVQOHRWRN-NKVSQWTQSA-N
MW448.53 g/mol
LogP4.83
Rot. Bonds7

About 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154656358) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154656358
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESC=C/C=C(\N=C)C(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C27H24N6O/c1-4-9-21(29-3)17(2)31-27(34)25-26(28)33-23(18-10-6-5-7-11-18)24(32-25)20-13-14-22-19(16-20)12-8-15-30-22/h4-17H,1,3H2,2H3,(H2,28,33)(H,31,34)/b21-9-
InChIKeyADDZCJVQOHRWRN-NKVSQWTQSA-N
XLogP4.83
TPSA106.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-5-phenyl-N-(1-phenylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;1-phenylethanamine
CID 164995746
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657981
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154656358) is 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is C=C/C=C(\N=C)C(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is ADDZCJVQOHRWRN-NKVSQWTQSA-N. The full InChI is InChI=1S/C27H24N6O/c1-4-9-21(29-3)17(2)31-27(34)25-26(28)33-23(18-10-6-5-7-11-18)24(32-25)20-13-14-22-19(16-20)12-8-15-30-22/h4-17H,1,3H2,2H3,(H2,28,33)(H,31,34)/b21-9-.
What are the key properties of 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154656358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).