N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide

C22H24ClN5O2 — CID 11553648

IUPACN-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide
SMILESCc1nc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H24ClN5O2/c1-14-19-12-17(26-21(29)13-30-18-5-2-15(23)3-6-18)4-7-20(19)27-22(25-14)28-10-8-16(24)9-11-28/h2-7,12,16H,8-11,13,24H2,1H3,(H,26,29)
InChIKeySMFQUUUKVWCGTO-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide

N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 11553648) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID11553648
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide
SMILESCc1nc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H24ClN5O2/c1-14-19-12-17(26-21(29)13-30-18-5-2-15(23)3-6-18)4-7-20(19)27-22(25-14)28-10-8-16(24)9-11-28/h2-7,12,16H,8-11,13,24H2,1H3,(H,26,29)
InChIKeySMFQUUUKVWCGTO-UHFFFAOYSA-N
XLogP3.54
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide (CID 11553648) is N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide is Cc1nc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is SMFQUUUKVWCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-14-19-12-17(26-21(29)13-30-18-5-2-15(23)3-6-18)4-7-20(19)27-22(25-14)28-10-8-16(24)9-11-28/h2-7,12,16H,8-11,13,24H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide?
N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 425.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 11553648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).