N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine

C19H28N4O — CID 75458624

IUPACN-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine
SMILESCOCCCN1CCC(Nc2ncnc3cc(C)c(C)cc23)CC1
InChIInChI=1S/C19H28N4O/c1-14-11-17-18(12-15(14)2)20-13-21-19(17)22-16-5-8-23(9-6-16)7-4-10-24-3/h11-13,16H,4-10H2,1-3H3,(H,20,21,22)
InChIKeyRGXXURVTKJWQRE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.16
Rot. Bonds6

About N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine

N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine (PubChem CID 75458624) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine
PubChem CID75458624
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine
SMILESCOCCCN1CCC(Nc2ncnc3cc(C)c(C)cc23)CC1
InChIInChI=1S/C19H28N4O/c1-14-11-17-18(12-15(14)2)20-13-21-19(17)22-16-5-8-23(9-6-16)7-4-10-24-3/h11-13,16H,4-10H2,1-3H3,(H,20,21,22)
InChIKeyRGXXURVTKJWQRE-UHFFFAOYSA-N
XLogP3.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine?
The IUPAC name of N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine (CID 75458624) is N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine is COCCCN1CCC(Nc2ncnc3cc(C)c(C)cc23)CC1.
What is the InChIKey of N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine?
The InChIKey is RGXXURVTKJWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-11-17-18(12-15(14)2)20-13-21-19(17)22-16-5-8-23(9-6-16)7-4-10-24-3/h11-13,16H,4-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine?
N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)piperidin-4-yl]-6,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 75458624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).