2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide

C21H21ClN4O2 — CID 11452268

IUPAC2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C21H21ClN4O2/c1-14-18-12-16(24-20(27)13-28-17-7-4-15(22)5-8-17)6-9-19(18)25-21(23-14)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)
InChIKeyMXDQNCXNQJMIEH-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide

2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide (PubChem CID 11452268) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
PubChem CID11452268
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C21H21ClN4O2/c1-14-18-12-16(24-20(27)13-28-17-7-4-15(22)5-8-17)6-9-19(18)25-21(23-14)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)
InChIKeyMXDQNCXNQJMIEH-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11155432
N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11189610
2-(4-methoxyphenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440762
2-(2-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440885
2-(4-chlorophenoxy)-N-{1-methyl-2-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-5-yl}acetamide
CID 666438
N-(4-acetamidophenyl)-2-quinazolin-4-yloxyacetamide
CID 2379207
2-(2,4-Dichlorophenoxy)-N-[4-methyl-2-(piperidin-1-YL)quinolin-6-YL]acetamide
CID 3611477
2-(4-Chlorophenoxy)-N-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)acetamide
CID 6621104
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 10073563
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]acetamide
CID 10344176
2-(2,4-Dichloro-phenoxy)-N-(4-methyl-2-piperazin-1-yl-quinolin-6-yl)-acetamide
CID 10388797
2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-acetamide
CID 11304816

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide (CID 11452268) is 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide is Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The InChIKey is MXDQNCXNQJMIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-18-12-16(24-20(27)13-28-17-7-4-15(22)5-8-17)6-9-19(18)25-21(23-14)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide has a molecular weight of 396.88 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 11452268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).