4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide

C22H32N6O4 — CID 135984393

IUPAC4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide
SMILESCOc1cc2nc(N3CCN(C(=O)NC4CCCCCC4)CC3)nc(N)c2c(O)c1OC
InChIInChI=1S/C22H32N6O4/c1-31-16-13-15-17(18(29)19(16)32-2)20(23)26-21(25-15)27-9-11-28(12-10-27)22(30)24-14-7-5-3-4-6-8-14/h13-14,29H,3-12H2,1-2H3,(H,24,30)(H2,23,25,26)
InChIKeyWPHVSRXOLLRMGN-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.49
Rot. Bonds4

About 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide

4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide (PubChem CID 135984393) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide
PubChem CID135984393
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Name4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide
SMILESCOc1cc2nc(N3CCN(C(=O)NC4CCCCCC4)CC3)nc(N)c2c(O)c1OC
InChIInChI=1S/C22H32N6O4/c1-31-16-13-15-17(18(29)19(16)32-2)20(23)26-21(25-15)27-9-11-28(12-10-27)22(30)24-14-7-5-3-4-6-8-14/h13-14,29H,3-12H2,1-2H3,(H,24,30)(H2,23,25,26)
InChIKeyWPHVSRXOLLRMGN-UHFFFAOYSA-N
XLogP2.49
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
[4-(4-amino-5-cyclobutyloxy-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 18470658
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 110404200
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-cyclohexylpiperazine-1-carboxamide
CID 68912399
N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 135938889
1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
CID 174731053
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 3061445

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide (CID 135984393) is 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide is COc1cc2nc(N3CCN(C(=O)NC4CCCCCC4)CC3)nc(N)c2c(O)c1OC.
What is the InChIKey of 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide?
The InChIKey is WPHVSRXOLLRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c1-31-16-13-15-17(18(29)19(16)32-2)20(23)26-21(25-15)27-9-11-28(12-10-27)22(30)24-14-7-5-3-4-6-8-14/h13-14,29H,3-12H2,1-2H3,(H,24,30)(H2,23,25,26).
What are the key properties of 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide?
4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-hydroxy-6,7-dimethoxyquinazolin-2-yl)-N-cycloheptylpiperazine-1-carboxamide is sourced from PubChem (CID 135984393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).