1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine

C24H30N4O — CID 45192252

IUPAC1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
SMILESCOc1ccc2c(C)nc(N3CCC(NCC(C)c4ccccc4)CC3)nc2c1
InChIInChI=1S/C24H30N4O/c1-17(19-7-5-4-6-8-19)16-25-20-11-13-28(14-12-20)24-26-18(2)22-10-9-21(29-3)15-23(22)27-24/h4-10,15,17,20,25H,11-14,16H2,1-3H3
InChIKeyIKWDFJRPUYUTSO-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.31
Rot. Bonds6

About 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine

1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine (PubChem CID 45192252) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
PubChem CID45192252
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
SMILESCOc1ccc2c(C)nc(N3CCC(NCC(C)c4ccccc4)CC3)nc2c1
InChIInChI=1S/C24H30N4O/c1-17(19-7-5-4-6-8-19)16-25-20-11-13-28(14-12-20)24-26-18(2)22-10-9-21(29-3)15-23(22)27-24/h4-10,15,17,20,25H,11-14,16H2,1-3H3
InChIKeyIKWDFJRPUYUTSO-UHFFFAOYSA-N
XLogP4.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine?
The IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine (CID 45192252) is 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine is COc1ccc2c(C)nc(N3CCC(NCC(C)c4ccccc4)CC3)nc2c1.
What is the InChIKey of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine?
The InChIKey is IKWDFJRPUYUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17(19-7-5-4-6-8-19)16-25-20-11-13-28(14-12-20)24-26-18(2)22-10-9-21(29-3)15-23(22)27-24/h4-10,15,17,20,25H,11-14,16H2,1-3H3.
What are the key properties of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine?
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine has a molecular weight of 390.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 45192252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).