[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone

C22H25N5O2 — CID 25002759

IUPAC[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-14-5-7-16(8-6-14)21(28)27-11-9-15(10-12-27)13-29-18-4-2-3-17-19(18)20(23)26-22(24)25-17/h2-8,15H,9-13H2,1H3,(H4,23,24,25,26)
InChIKeyNHPBJXIKGXOESK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.03
Rot. Bonds4

About [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone

[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 25002759) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID25002759
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-14-5-7-16(8-6-14)21(28)27-11-9-15(10-12-27)13-29-18-4-2-3-17-19(18)20(23)26-22(24)25-17/h2-8,15H,9-13H2,1H3,(H4,23,24,25,26)
InChIKeyNHPBJXIKGXOESK-UHFFFAOYSA-N
XLogP3.03
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
5-[1-(2-Chlorophenyl)-piperidin-4-ylmethoxy)quinazoline-2,4-diamine
CID 25003845
5-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 44242593
5-[[1-(Piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997768
[2-Azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 137333967
2-(4-Furan-2-yl-piperazin-1-yl)-6,7-dimethoxy-quinazolin-4-ylamine
CID 20215436
5-[[1-[(2-Chlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25007428
3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
CID 46898100
5-[(1-Benzylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
CID 57576574

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone (CID 25002759) is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cc1.
What is the InChIKey of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is NHPBJXIKGXOESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-5-7-16(8-6-14)21(28)27-11-9-15(10-12-27)13-29-18-4-2-3-17-19(18)20(23)26-22(24)25-17/h2-8,15H,9-13H2,1H3,(H4,23,24,25,26).
What are the key properties of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 391.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 25002759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).