N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine

C21H24N4O2 — CID 1282354

IUPACN-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H24N4O2/c1-26-15-10-11-18(19(14-15)27-2)22-20-16-8-4-5-9-17(16)23-21(24-20)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,23,24)
InChIKeyLGDUDVWTXMUQAW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.38
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine

N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 1282354) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine
PubChem CID1282354
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H24N4O2/c1-26-15-10-11-18(19(14-15)27-2)22-20-16-8-4-5-9-17(16)23-21(24-20)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,23,24)
InChIKeyLGDUDVWTXMUQAW-UHFFFAOYSA-N
XLogP4.38
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine (CID 1282354) is N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine is COc1ccc(Nc2nc(N3CCCCC3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is LGDUDVWTXMUQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-15-10-11-18(19(14-15)27-2)22-20-16-8-4-5-9-17(16)23-21(24-20)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine?
N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 1282354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).