4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile

C24H20ClN3O3 — CID 5330443

IUPAC4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OC)cc4cc23)c(C)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28)
InChIKeyYZQUCHVNBPVHAO-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.99
Rot. Bonds5

About 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile

4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile (PubChem CID 5330443) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile
PubChem CID5330443
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OC)cc4cc23)c(C)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28)
InChIKeyYZQUCHVNBPVHAO-UHFFFAOYSA-N
XLogP5.99
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile?
The IUPAC name of 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile (CID 5330443) is 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OC)cc4cc23)c(C)cc1Cl.
What is the InChIKey of 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile?
The InChIKey is YZQUCHVNBPVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28).
What are the key properties of 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile?
4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile has a molecular weight of 433.90 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile is sourced from PubChem (CID 5330443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).