ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine

C23H29N5 — CID 143341789

IUPACethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine
SMILESCC.Cc1cccc(/C=N/Nc2nc(N3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C21H23N5.C2H6/c1-16-8-7-9-17(14-16)15-22-25-20-18-10-3-4-11-19(18)23-21(24-20)26-12-5-2-6-13-26;1-2/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,24,25);1-2H3/b22-15+;
InChIKeyFMTHLHYWZMOUIB-WXXHTBLMSA-N
MW375.52 g/mol
LogP5.40
Rot. Bonds4

About ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine

ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 143341789) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Nameethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine
PubChem CID143341789
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Nameethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine
SMILESCC.Cc1cccc(/C=N/Nc2nc(N3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C21H23N5.C2H6/c1-16-8-7-9-17(14-16)15-22-25-20-18-10-3-4-11-19(18)23-21(24-20)26-12-5-2-6-13-26;1-2/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,24,25);1-2H3/b22-15+;
InChIKeyFMTHLHYWZMOUIB-WXXHTBLMSA-N
XLogP5.40
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
CID 170724764
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 143341573
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
N-[(E)-(3-methylphenyl)methylideneamino]-9-(3-methyl-1,2-thiazol-5-yl)-2-morpholin-4-ylpurin-6-amine
CID 170724779
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68781551
N-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3871754
9-(4-chlorophenyl)-N-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724614
2-N-[(3-iodophenyl)methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 85026567
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine (CID 143341789) is ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine is CC.Cc1cccc(/C=N/Nc2nc(N3CCCCC3)nc3ccccc23)c1.
What is the InChIKey of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is FMTHLHYWZMOUIB-WXXHTBLMSA-N. The full InChI is InChI=1S/C21H23N5.C2H6/c1-16-8-7-9-17(14-16)15-22-25-20-18-10-3-4-11-19(18)23-21(24-20)26-12-5-2-6-13-26;1-2/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,24,25);1-2H3/b22-15+;.
What are the key properties of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine?
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 375.52 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 143341789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).