1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C22H30N4O3 — CID 45184040

IUPAC1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)NCC4CCCO4)CC3)nc(C)c2c1
InChIInChI=1S/C22H30N4O3/c1-3-28-17-6-7-20-19(13-17)15(2)24-22(25-20)26-10-8-16(9-11-26)21(27)23-14-18-5-4-12-29-18/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3,(H,23,27)
InChIKeySPZZMBSWBBSZPT-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.85
Rot. Bonds6

About 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 45184040) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID45184040
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)NCC4CCCO4)CC3)nc(C)c2c1
InChIInChI=1S/C22H30N4O3/c1-3-28-17-6-7-20-19(13-17)15(2)24-22(25-20)26-10-8-16(9-11-26)21(27)23-14-18-5-4-12-29-18/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3,(H,23,27)
InChIKeySPZZMBSWBBSZPT-UHFFFAOYSA-N
XLogP2.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 26280928
1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 123132459
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 45177308
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 118754407
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53166965
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 154569216
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92877385
4-[1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]thiomorpholine
CID 118758928
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 45184040) is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CCOc1ccc2nc(N3CCC(C(=O)NCC4CCCO4)CC3)nc(C)c2c1.
What is the InChIKey of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SPZZMBSWBBSZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-28-17-6-7-20-19(13-17)15(2)24-22(25-20)26-10-8-16(9-11-26)21(27)23-14-18-5-4-12-29-18/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3,(H,23,27).
What are the key properties of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45184040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).