ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal

C32H43N5O2 — CID 144501291

About ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal

ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal (PubChem CID 144501291) has the molecular formula C32H43N5O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal.

Molecular Properties

• Compound Name: ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal
• PubChem CID: 144501291
• Molecular Formula: C32H43N5O2
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.34
• IUPAC Name: ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal
• SMILES: CC.CC.CC(C)CC=O.CNc1ccc2c(c1)CCN2c1nc(-c2cccnc2)nc2ccc(OC)cc12
• InChI: InChI=1S/C23H21N5O.C5H10O.2C2H6/c1-24-17-5-8-21-15(12-17)9-11-28(21)23-19-13-18(29-2)6-7-20(19)26-22(27-23)16-4-3-10-25-14-16;1-5(2)3-4-6;2*1-2/h3-8,10,12-14,24H,9,11H2,1-2H3;4-5H,3H2,1-2H3;2*1-2H3
• InChIKey: HXXIVGQEIBJSIT-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal?

The IUPAC name of ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal (CID 144501291) is ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal.

What is the SMILES notation for ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal?

The canonical SMILES for ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal is CC.CC.CC(C)CC=O.CNc1ccc2c(c1)CCN2c1nc(-c2cccnc2)nc2ccc(OC)cc12.

What is the InChIKey of ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal?

The InChIKey is HXXIVGQEIBJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C5H10O.2C2H6/c1-24-17-5-8-21-15(12-17)9-11-28(21)23-19-13-18(29-2)6-7-20(19)26-22(27-23)16-4-3-10-25-14-16;1-5(2)3-4-6;2*1-2/h3-8,10,12-14,24H,9,11H2,1-2H3;4-5H,3H2,1-2H3;2*1-2H3.

What are the key properties of ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal?

ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal has a molecular weight of 529.73 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal is sourced from PubChem (CID 144501291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).