4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine

C22H27N5O2 — CID 10834412

IUPAC4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(N)cc23)c1
InChIInChI=1S/C22H27N5O2/c1-16-4-2-5-17(12-16)26-22-18-13-19(23)21(14-20(18)24-15-25-22)29-9-3-6-27-7-10-28-11-8-27/h2,4-5,12-15H,3,6-11,23H2,1H3,(H,24,25,26)
InChIKeyJPTWUJWJRRBJGM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.37
Rot. Bonds7

About 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine

4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine (PubChem CID 10834412) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
PubChem CID10834412
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(N)cc23)c1
InChIInChI=1S/C22H27N5O2/c1-16-4-2-5-17(12-16)26-22-18-13-19(23)21(14-20(18)24-15-25-22)29-9-3-6-27-7-10-28-11-8-27/h2,4-5,12-15H,3,6-11,23H2,1H3,(H,24,25,26)
InChIKeyJPTWUJWJRRBJGM-UHFFFAOYSA-N
XLogP3.37
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
ethyl 4-[4-[3-[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]butanoate
CID 22269897
4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
CID 57283012
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
ethyl 2-[4-[3-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetate
CID 22270177
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 141309114
N-(4-chloro-3-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
CID 169437574

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine (CID 10834412) is 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine is Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(N)cc23)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine?
The InChIKey is JPTWUJWJRRBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-4-2-5-17(12-16)26-22-18-13-19(23)21(14-20(18)24-15-25-22)29-9-3-6-27-7-10-28-11-8-27/h2,4-5,12-15H,3,6-11,23H2,1H3,(H,24,25,26).
What are the key properties of 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine?
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine has a molecular weight of 393.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine is sourced from PubChem (CID 10834412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).