N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine

C20H22N4 — CID 725428

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
SMILESCC1CCN(c2ccc(Nc3ncnc4ccccc34)cc2)CC1
InChIInChI=1S/C20H22N4/c1-15-10-12-24(13-11-15)17-8-6-16(7-9-17)23-20-18-4-2-3-5-19(18)21-14-22-20/h2-9,14-15H,10-13H2,1H3,(H,21,22,23)
InChIKeyWZAPHQIPNPRKKB-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.61
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine

N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine (PubChem CID 725428) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
PubChem CID725428
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
SMILESCC1CCN(c2ccc(Nc3ncnc4ccccc34)cc2)CC1
InChIInChI=1S/C20H22N4/c1-15-10-12-24(13-11-15)17-8-6-16(7-9-17)23-20-18-4-2-3-5-19(18)21-14-22-20/h2-9,14-15H,10-13H2,1H3,(H,21,22,23)
InChIKeyWZAPHQIPNPRKKB-UHFFFAOYSA-N
XLogP4.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine (CID 725428) is N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine is CC1CCN(c2ccc(Nc3ncnc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine?
The InChIKey is WZAPHQIPNPRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-10-12-24(13-11-15)17-8-6-16(7-9-17)23-20-18-4-2-3-5-19(18)21-14-22-20/h2-9,14-15H,10-13H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine?
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 725428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).