N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine

C19H20N4O — CID 784132

IUPACN-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O/c1-14-6-8-15(9-7-14)20-19-21-17-5-3-2-4-16(17)18(22-19)23-10-12-24-13-11-23/h2-9H,10-13H2,1H3,(H,20,21,22)
InChIKeyJTSGVZMORIENSD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.52
Rot. Bonds3

About N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine

N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine (PubChem CID 784132) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine
PubChem CID784132
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O/c1-14-6-8-15(9-7-14)20-19-21-17-5-3-2-4-16(17)18(22-19)23-10-12-24-13-11-23/h2-9H,10-13H2,1H3,(H,20,21,22)
InChIKeyJTSGVZMORIENSD-UHFFFAOYSA-N
XLogP3.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine (CID 784132) is N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine is Cc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine?
The InChIKey is JTSGVZMORIENSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-6-8-15(9-7-14)20-19-21-17-5-3-2-4-16(17)18(22-19)23-10-12-24-13-11-23/h2-9H,10-13H2,1H3,(H,20,21,22).
What are the key properties of N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine?
N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine has a molecular weight of 320.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine is sourced from PubChem (CID 784132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).