N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C23H16ClN5S — CID 3332290

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c34)c(Cl)nc12
InChIInChI=1S/C23H16ClN5S/c1-14-6-5-9-16-10-17(21(24)28-20(14)16)11-27-29-22-19-18(15-7-3-2-4-8-15)12-30-23(19)26-13-25-22/h2-13H,1H3,(H,25,26,29)
InChIKeyUICQHTWMDRCNIF-UHFFFAOYSA-N
MW429.94 g/mol
LogP6.31
Rot. Bonds4

About N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 3332290) has the molecular formula C23H16ClN5S and a molecular weight of 429.94 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID3332290
Molecular FormulaC23H16ClN5S
Molecular Weight429.94 g/mol
Exact Mass429.08
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c34)c(Cl)nc12
InChIInChI=1S/C23H16ClN5S/c1-14-6-5-9-16-10-17(21(24)28-20(14)16)11-27-29-22-19-18(15-7-3-2-4-8-15)12-30-23(19)26-13-25-22/h2-13H,1H3,(H,25,26,29)
InChIKeyUICQHTWMDRCNIF-UHFFFAOYSA-N
XLogP6.31
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.94
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine 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

4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135651752
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
4-nitro-2-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenolate
CID 7735261
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651619
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3758749
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651634
4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136919083
2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3640732
(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857756
N-[(E)-2H-chromen-3-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 6886819
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 146025539
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 3332290) is N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1cccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c34)c(Cl)nc12.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UICQHTWMDRCNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5S/c1-14-6-5-9-16-10-17(21(24)28-20(14)16)11-27-29-22-19-18(15-7-3-2-4-8-15)12-30-23(19)26-13-25-22/h2-13H,1H3,(H,25,26,29).
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 429.94 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3332290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).