6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline

C25H38N4O3 — CID 45168993

IUPAC6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline
SMILESCCOc1ccc2nc(N3CCCC(N4CCC(OCCOC)CC4)CC3)nc(C)c2c1
InChIInChI=1S/C25H38N4O3/c1-4-31-22-7-8-24-23(18-22)19(2)26-25(27-24)29-12-5-6-20(9-13-29)28-14-10-21(11-15-28)32-17-16-30-3/h7-8,18,20-21H,4-6,9-17H2,1-3H3
InChIKeyINCLOWNXKKQPMX-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.82
Rot. Bonds8

About 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline

6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline (PubChem CID 45168993) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline.

Molecular Properties

Compound Name6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline
PubChem CID45168993
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline
SMILESCCOc1ccc2nc(N3CCCC(N4CCC(OCCOC)CC4)CC3)nc(C)c2c1
InChIInChI=1S/C25H38N4O3/c1-4-31-22-7-8-24-23(18-22)19(2)26-25(27-24)29-12-5-6-20(9-13-29)28-14-10-21(11-15-28)32-17-16-30-3/h7-8,18,20-21H,4-6,9-17H2,1-3H3
InChIKeyINCLOWNXKKQPMX-UHFFFAOYSA-N
XLogP3.82
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]thiomorpholine
CID 118758928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(2-pyrazol-1-ylethyl)azepan-4-amine
CID 45202558
[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 118757583
6-ethoxy-4-methyl-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]quinazoline
CID 42278062
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 126466431
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
CID 142905223
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45222783
(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide
CID 26316213
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)azepan-4-amine
CID 45196940
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 26280928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 45184040

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline?
The IUPAC name of 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline (CID 45168993) is 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline.
What is the SMILES notation for 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline?
The canonical SMILES for 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline is CCOc1ccc2nc(N3CCCC(N4CCC(OCCOC)CC4)CC3)nc(C)c2c1.
What is the InChIKey of 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline?
The InChIKey is INCLOWNXKKQPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-4-31-22-7-8-24-23(18-22)19(2)26-25(27-24)29-12-5-6-20(9-13-29)28-14-10-21(11-15-28)32-17-16-30-3/h7-8,18,20-21H,4-6,9-17H2,1-3H3.
What are the key properties of 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline?
6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline has a molecular weight of 442.60 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline is sourced from PubChem (CID 45168993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).