2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline

C21H29N3O2 — CID 134111359

IUPAC2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
SMILESCOc1cc2nc(C3CCCCC3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C21H29N3O2/c1-25-18-13-16-17(14-19(18)26-2)22-20(15-9-5-3-6-10-15)23-21(16)24-11-7-4-8-12-24/h13-15H,3-12H2,1-2H3
InChIKeyCVQPSIPCOQRBPU-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.68
Rot. Bonds4

About 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline

2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline (PubChem CID 134111359) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
PubChem CID134111359
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
SMILESCOc1cc2nc(C3CCCCC3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C21H29N3O2/c1-25-18-13-16-17(14-19(18)26-2)22-20(15-9-5-3-6-10-15)23-21(16)24-11-7-4-8-12-24/h13-15H,3-12H2,1-2H3
InChIKeyCVQPSIPCOQRBPU-UHFFFAOYSA-N
XLogP4.68
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
2-cyclobutyl-6,7-dimethoxy-4-methylquinazoline
CID 163275248
[3-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-4-methoxyphenyl]methanamine
CID 76902422
2-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-5-methoxybenzonitrile
CID 76901094
4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
CID 76902614
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-3-ylquinazoline
CID 90237774
2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 90237473
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
2-cyclopropyl-6,7-dimethoxy-4-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]quinazoline
CID 76900716
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline
CID 90237348
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline?
The IUPAC name of 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline (CID 134111359) is 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline?
The canonical SMILES for 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline is COc1cc2nc(C3CCCCC3)nc(N3CCCCC3)c2cc1OC.
What is the InChIKey of 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline?
The InChIKey is CVQPSIPCOQRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-25-18-13-16-17(14-19(18)26-2)22-20(15-9-5-3-6-10-15)23-21(16)24-11-7-4-8-12-24/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline?
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline has a molecular weight of 355.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 134111359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).