[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone

C22H31N5O3 — CID 56557141

IUPAC[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
SMILESCOc1cc2nc(NC3CCN(C(=O)C4CCCCC4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C22H31N5O3/c1-29-18-12-16-17(13-19(18)30-2)25-22(26-20(16)23)24-15-8-10-27(11-9-15)21(28)14-6-4-3-5-7-14/h12-15H,3-11H2,1-2H3,(H3,23,24,25,26)
InChIKeyPLAIQKXSODYEPR-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.21
Rot. Bonds5

About [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone

[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone (PubChem CID 56557141) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
PubChem CID56557141
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
SMILESCOc1cc2nc(NC3CCN(C(=O)C4CCCCC4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C22H31N5O3/c1-29-18-12-16-17(13-19(18)30-2)25-22(26-20(16)23)24-15-8-10-27(11-9-15)21(28)14-6-4-3-5-7-14/h12-15H,3-11H2,1-2H3,(H3,23,24,25,26)
InChIKeyPLAIQKXSODYEPR-UHFFFAOYSA-N
XLogP3.21
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone with MolForge

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Related Compounds

6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055
[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 126463047
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
CID 18540710
cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 47156722
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
CID 131963482
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105

Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone (CID 56557141) is [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone is COc1cc2nc(NC3CCN(C(=O)C4CCCCC4)CC3)nc(N)c2cc1OC.
What is the InChIKey of [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is PLAIQKXSODYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-29-18-12-16-17(13-19(18)30-2)25-22(26-20(16)23)24-15-8-10-27(11-9-15)21(28)14-6-4-3-5-7-14/h12-15H,3-11H2,1-2H3,(H3,23,24,25,26).
What are the key properties of [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone?
[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 413.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 56557141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).