N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide

C27H23N5O3 — CID 162676112

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide
SMILESCOc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5ccc(O)cc5)cc4c3)cc(C)nc12
InChIInChI=1S/C27H23N5O3/c1-16-12-23(21-4-3-5-25(35-2)26(21)29-16)30-19-8-11-22-18(13-19)14-24(31-22)27(34)32-28-15-17-6-9-20(33)10-7-17/h3-15,31,33H,1-2H3,(H,29,30)(H,32,34)/b28-15+
InChIKeyPTDDABGJDOLQBU-RWPZCVJISA-N
MW465.51 g/mol
LogP5.25
Rot. Bonds6

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide (PubChem CID 162676112) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide
PubChem CID162676112
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide
SMILESCOc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5ccc(O)cc5)cc4c3)cc(C)nc12
InChIInChI=1S/C27H23N5O3/c1-16-12-23(21-4-3-5-25(35-2)26(21)29-16)30-19-8-11-22-18(13-19)14-24(31-22)27(34)32-28-15-17-6-9-20(33)10-7-17/h3-15,31,33H,1-2H3,(H,29,30)(H,32,34)/b28-15+
InChIKeyPTDDABGJDOLQBU-RWPZCVJISA-N
XLogP5.25
TPSA111.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide
CID 136836269
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136847176
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130777
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide (CID 162676112) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide is COc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5ccc(O)cc5)cc4c3)cc(C)nc12.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide?
The InChIKey is PTDDABGJDOLQBU-RWPZCVJISA-N. The full InChI is InChI=1S/C27H23N5O3/c1-16-12-23(21-4-3-5-25(35-2)26(21)29-16)30-19-8-11-22-18(13-19)14-24(31-22)27(34)32-28-15-17-6-9-20(33)10-7-17/h3-15,31,33H,1-2H3,(H,29,30)(H,32,34)/b28-15+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 162676112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).