1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C30H40N8O3 — CID 45272923

IUPAC1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN(C)CCOc1cc2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(N)c2cc1OCCN(C)C
InChIInChI=1S/C30H40N8O3/c1-35(2)13-15-40-26-18-23-25(19-27(26)41-16-14-36(3)4)33-30(34-29(23)31)38-11-9-37(10-12-38)28(39)17-21-20-32-24-8-6-5-7-22(21)24/h5-8,18-20,32H,9-17H2,1-4H3,(H2,31,33,34)
InChIKeyJOGPSQQXPDOGQN-UHFFFAOYSA-N
MW560.70 g/mol
LogP2.47
Rot. Bonds11

About 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 45272923) has the molecular formula C30H40N8O3 and a molecular weight of 560.70 g/mol. Its IUPAC name is 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID45272923
Molecular FormulaC30H40N8O3
Molecular Weight560.70 g/mol
Exact Mass560.32
IUPAC Name1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN(C)CCOc1cc2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(N)c2cc1OCCN(C)C
InChIInChI=1S/C30H40N8O3/c1-35(2)13-15-40-26-18-23-25(19-27(26)41-16-14-36(3)4)33-30(34-29(23)31)38-11-9-37(10-12-38)28(39)17-21-20-32-24-8-6-5-7-22(21)24/h5-8,18-20,32H,9-17H2,1-4H3,(H2,31,33,34)
InChIKeyJOGPSQQXPDOGQN-UHFFFAOYSA-N
XLogP2.47
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 45272923) is 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is CN(C)CCOc1cc2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(N)c2cc1OCCN(C)C.
What is the InChIKey of 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is JOGPSQQXPDOGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N8O3/c1-35(2)13-15-40-26-18-23-25(19-27(26)41-16-14-36(3)4)33-30(34-29(23)31)38-11-9-37(10-12-38)28(39)17-21-20-32-24-8-6-5-7-22(21)24/h5-8,18-20,32H,9-17H2,1-4H3,(H2,31,33,34).
What are the key properties of 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 560.70 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 45272923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).