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

C22H25N5O2 — CID 25002416

IUPAC[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C22H25N5O2/c1-14-5-2-3-6-16(14)21(28)27-11-9-15(10-12-27)13-29-18-8-4-7-17-19(18)20(23)26-22(24)25-17/h2-8,15H,9-13H2,1H3,(H4,23,24,25,26)
InChIKeyPORJHVFDTBXRCE-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.03
Rot. Bonds4

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

[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 25002416) 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]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID25002416
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C22H25N5O2/c1-14-5-2-3-6-16(14)21(28)27-11-9-15(10-12-27)13-29-18-8-4-7-17-19(18)20(23)26-22(24)25-17/h2-8,15H,9-13H2,1H3,(H4,23,24,25,26)
InChIKeyPORJHVFDTBXRCE-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]-(2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 67302160
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 67302117
1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 67302115
tert-butyl 4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidine-1-carboxylate
CID 66924145
1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2-ethylbutan-1-one
CID 67301583
(6-chloro-3-pyridinyl)-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]methanone
CID 123782065
5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25002763
5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997768
5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301909
5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67302380
5-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25007785
5-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301832

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone (CID 25002416) is [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1.
What is the InChIKey of [4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is PORJHVFDTBXRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-5-2-3-6-16(14)21(28)27-11-9-15(10-12-27)13-29-18-8-4-7-17-19(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]-(2-methylphenyl)methanone?
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-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]-(2-methylphenyl)methanone is sourced from PubChem (CID 25002416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).