6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride

C21H32Cl2N4O3 — CID 19605811

IUPAC6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
SMILESCOc1cc2c(N3CCC(N4CCCCC4)CC3)ncnc2c(OC)c1OC.Cl.Cl
InChIInChI=1S/C21H30N4O3.2ClH/c1-26-17-13-16-18(20(28-3)19(17)27-2)22-14-23-21(16)25-11-7-15(8-12-25)24-9-5-4-6-10-24;;/h13-15H,4-12H2,1-3H3;2*1H
InChIKeyFUIKLVLIAHMSDX-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.95
Rot. Bonds5

About 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride

6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride (PubChem CID 19605811) has the molecular formula C21H32Cl2N4O3 and a molecular weight of 459.42 g/mol. Its IUPAC name is 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride.

Molecular Properties

Compound Name6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
PubChem CID19605811
Molecular FormulaC21H32Cl2N4O3
Molecular Weight459.42 g/mol
Exact Mass458.19
IUPAC Name6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
SMILESCOc1cc2c(N3CCC(N4CCCCC4)CC3)ncnc2c(OC)c1OC.Cl.Cl
InChIInChI=1S/C21H30N4O3.2ClH/c1-26-17-13-16-18(20(28-3)19(17)27-2)22-14-23-21(16)25-11-7-15(8-12-25)24-9-5-4-6-10-24;;/h13-15H,4-12H2,1-3H3;2*1H
InChIKeyFUIKLVLIAHMSDX-UHFFFAOYSA-N
XLogP3.95
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433380
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452610
7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
N-(4-nitrophenyl)-4-(6,7,8-trimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707512
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
1-(6,7-dimethoxyquinazolin-4-yl)-3-N-[5-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-triazole-3,5-diamine
CID 42602114
3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one
CID 139800922
4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 83286971

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride?
The IUPAC name of 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride (CID 19605811) is 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride.
What is the SMILES notation for 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride?
The canonical SMILES for 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride is COc1cc2c(N3CCC(N4CCCCC4)CC3)ncnc2c(OC)c1OC.Cl.Cl.
What is the InChIKey of 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride?
The InChIKey is FUIKLVLIAHMSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3.2ClH/c1-26-17-13-16-18(20(28-3)19(17)27-2)22-14-23-21(16)25-11-7-15(8-12-25)24-9-5-4-6-10-24;;/h13-15H,4-12H2,1-3H3;2*1H.
What are the key properties of 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride?
6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride has a molecular weight of 459.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride is sourced from PubChem (CID 19605811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).