7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine

C24H21Cl2N7O2 — CID 22030941

IUPAC7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCN(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C24H21Cl2N7O2/c1-33(19-12-22(25)31-32-23(19)26)7-8-35-21-11-18-16(10-20(21)34-2)24(29-13-28-18)30-15-3-4-17-14(9-15)5-6-27-17/h3-6,9-13,27H,7-8H2,1-2H3,(H,28,29,30)
InChIKeyPWXFSNBGYGNFAD-UHFFFAOYSA-N
MW510.39 g/mol
LogP5.48
Rot. Bonds8

About 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine

7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine (PubChem CID 22030941) has the molecular formula C24H21Cl2N7O2 and a molecular weight of 510.39 g/mol. Its IUPAC name is 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine
PubChem CID22030941
Molecular FormulaC24H21Cl2N7O2
Molecular Weight510.39 g/mol
Exact Mass509.11
IUPAC Name7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCN(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C24H21Cl2N7O2/c1-33(19-12-22(25)31-32-23(19)26)7-8-35-21-11-18-16(10-20(21)34-2)24(29-13-28-18)30-15-3-4-17-14(9-15)5-6-27-17/h3-6,9-13,27H,7-8H2,1-2H3,(H,28,29,30)
InChIKeyPWXFSNBGYGNFAD-UHFFFAOYSA-N
XLogP5.48
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 123631
CID 123631
CID 11307497
CID 11307497
CID 4913175
CID 4913175
CID 5329018
CID 5329018
CID 5329019
CID 5329019
CID 5329020
CID 5329020
CID 5329021
CID 5329021
CID 5329024
CID 5329024
CID 5329025
CID 5329025
CID 5329026
CID 5329026
CID 5329027
CID 5329027
CID 5330173
CID 5330173

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine (CID 22030941) is 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine is COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCN(C)c1cc(Cl)nnc1Cl.
What is the InChIKey of 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine?
The InChIKey is PWXFSNBGYGNFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N7O2/c1-33(19-12-22(25)31-32-23(19)26)7-8-35-21-11-18-16(10-20(21)34-2)24(29-13-28-18)30-15-3-4-17-14(9-15)5-6-27-17/h3-6,9-13,27H,7-8H2,1-2H3,(H,28,29,30).
What are the key properties of 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine?
7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine has a molecular weight of 510.39 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3,6-dichloropyridazin-4-yl)-methylamino]ethoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 22030941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).