7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine

C25H19ClN4 — CID 5027998

IUPAC7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine
SMILESCn1c(-c2ccccc2)c(C=NNc2ccnc3cc(Cl)ccc23)c2ccccc21
InChIInChI=1S/C25H19ClN4/c1-30-24-10-6-5-9-19(24)21(25(30)17-7-3-2-4-8-17)16-28-29-22-13-14-27-23-15-18(26)11-12-20(22)23/h2-16H,1H3,(H,27,29)
InChIKeyHPXXKNABZRWSTG-UHFFFAOYSA-N
MW410.91 g/mol
LogP6.49
Rot. Bonds4

About 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine

7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine (PubChem CID 5027998) has the molecular formula C25H19ClN4 and a molecular weight of 410.91 g/mol. Its IUPAC name is 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine
PubChem CID5027998
Molecular FormulaC25H19ClN4
Molecular Weight410.91 g/mol
Exact Mass410.13
IUPAC Name7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine
SMILESCn1c(-c2ccccc2)c(C=NNc2ccnc3cc(Cl)ccc23)c2ccccc21
InChIInChI=1S/C25H19ClN4/c1-30-24-10-6-5-9-19(24)21(25(30)17-7-3-2-4-8-17)16-28-29-22-13-14-27-23-15-18(26)11-12-20(22)23/h2-16H,1H3,(H,27,29)
InChIKeyHPXXKNABZRWSTG-UHFFFAOYSA-N
XLogP6.49
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine (CID 5027998) is 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine is Cn1c(-c2ccccc2)c(C=NNc2ccnc3cc(Cl)ccc23)c2ccccc21.
What is the InChIKey of 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine?
The InChIKey is HPXXKNABZRWSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4/c1-30-24-10-6-5-9-19(24)21(25(30)17-7-3-2-4-8-17)16-28-29-22-13-14-27-23-15-18(26)11-12-20(22)23/h2-16H,1H3,(H,27,29).
What are the key properties of 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine has a molecular weight of 410.91 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 5027998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).