N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide

C34H42ClN5O3 — CID 143191481

About N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide

N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 143191481) has the molecular formula C34H42ClN5O3 and a molecular weight of 604.20 g/mol. Its IUPAC name is N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
• PubChem CID: 143191481
• Molecular Formula: C34H42ClN5O3
• Molecular Weight: 604.20 g/mol
• Exact Mass: 603.30
• IUPAC Name: N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
• SMILES: CCOc1ccc(-n2c(C(CCCN)N(CCN(C)C)C(=O)Cc3ccc(CC)c(Cl)c3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C34H42ClN5O3/c1-5-25-14-13-24(22-29(25)35)23-32(41)39(21-20-38(3)4)31(12-9-19-36)33-37-30-11-8-7-10-28(30)34(42)40(33)26-15-17-27(18-16-26)43-6-2/h7-8,10-11,13-18,22,31H,5-6,9,12,19-21,23,36H2,1-4H3
• InChIKey: UWGSUKFOTKZDMF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 93.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.20
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?

The IUPAC name of N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide (CID 143191481) is N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide.

What is the SMILES notation for N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?

The canonical SMILES for N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide is CCOc1ccc(-n2c(C(CCCN)N(CCN(C)C)C(=O)Cc3ccc(CC)c(Cl)c3)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?

The InChIKey is UWGSUKFOTKZDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClN5O3/c1-5-25-14-13-24(22-29(25)35)23-32(41)39(21-20-38(3)4)31(12-9-19-36)33-37-30-11-8-7-10-28(30)34(42)40(33)26-15-17-27(18-16-26)43-6-2/h7-8,10-11,13-18,22,31H,5-6,9,12,19-21,23,36H2,1-4H3.

What are the key properties of N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?

N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 604.20 g/mol, XLogP of 5.41, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3-chloro-4-ethylphenyl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 143191481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).