2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide

C31H33N5O2 — CID 123289647

About 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide

2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 123289647) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
• PubChem CID: 123289647
• Molecular Formula: C31H33N5O2
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.26
• IUPAC Name: 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
• SMILES: CCC1C=Cc2cc(Nc3nc(-c4cccc(OCC(=O)NC(C)C)c4)nc4ccc(C)cc34)ccc2N1
• InChI: InChI=1S/C31H33N5O2/c1-5-23-11-10-21-16-24(12-14-27(21)33-23)34-31-26-15-20(4)9-13-28(26)35-30(36-31)22-7-6-8-25(17-22)38-18-29(37)32-19(2)3/h6-17,19,23,33H,5,18H2,1-4H3,(H,32,37)(H,34,35,36)
• InChIKey: WREDNABOZOKPQW-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 88.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide?

The IUPAC name of 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide (CID 123289647) is 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide is CCC1C=Cc2cc(Nc3nc(-c4cccc(OCC(=O)NC(C)C)c4)nc4ccc(C)cc34)ccc2N1.

What is the InChIKey of 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide?

The InChIKey is WREDNABOZOKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O2/c1-5-23-11-10-21-16-24(12-14-27(21)33-23)34-31-26-15-20(4)9-13-28(26)35-30(36-31)22-7-6-8-25(17-22)38-18-29(37)32-19(2)3/h6-17,19,23,33H,5,18H2,1-4H3,(H,32,37)(H,34,35,36).

What are the key properties of 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide?

2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 507.64 g/mol, XLogP of 6.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(2-ethyl-1,2-dihydroquinolin-6-yl)amino]-6-methylquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 123289647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).