methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride

C24H23Cl2N5O3 — CID 89315381

About methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride

methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride (PubChem CID 89315381) has the molecular formula C24H23Cl2N5O3 and a molecular weight of 500.39 g/mol. Its IUPAC name is methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride.

Molecular Properties

• Compound Name: methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride
• PubChem CID: 89315381
• Molecular Formula: C24H23Cl2N5O3
• Molecular Weight: 500.39 g/mol
• Exact Mass: 499.12
• IUPAC Name: methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride
• SMILES: COC(=O)N(c1ccc2c(c1)NCC2)c1nc(-c2cccnc2)nc2ccc(OC)cc12.Cl.Cl
• InChI: InChI=1S/C24H21N5O3.2ClH/c1-31-18-7-8-20-19(13-18)23(28-22(27-20)16-4-3-10-25-14-16)29(24(30)32-2)17-6-5-15-9-11-26-21(15)12-17;;/h3-8,10,12-14,26H,9,11H2,1-2H3;2*1H
• InChIKey: MPMQFLKTTNWFHF-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.39
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride?

The IUPAC name of methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride (CID 89315381) is methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride.

What is the SMILES notation for methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride?

The canonical SMILES for methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride is COC(=O)N(c1ccc2c(c1)NCC2)c1nc(-c2cccnc2)nc2ccc(OC)cc12.Cl.Cl.

What is the InChIKey of methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride?

The InChIKey is MPMQFLKTTNWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3.2ClH/c1-31-18-7-8-20-19(13-18)23(28-22(27-20)16-4-3-10-25-14-16)29(24(30)32-2)17-6-5-15-9-11-26-21(15)12-17;;/h3-8,10,12-14,26H,9,11H2,1-2H3;2*1H.

What are the key properties of methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride?

methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride has a molecular weight of 500.39 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride is sourced from PubChem (CID 89315381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).