N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide

C21H27FN4O3 — CID 126838765

IUPACN-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2ncnc3c(F)c(OC)ccc23)C12CCCC2
InChIInChI=1S/C21H27FN4O3/c1-28-12-8-17(27)25-16-7-11-26(21(16)9-3-4-10-21)20-14-5-6-15(29-2)18(22)19(14)23-13-24-20/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,25,27)
InChIKeyYOZCZEQBWLNBKY-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide

N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide (PubChem CID 126838765) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide
PubChem CID126838765
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC NameN-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2ncnc3c(F)c(OC)ccc23)C12CCCC2
InChIInChI=1S/C21H27FN4O3/c1-28-12-8-17(27)25-16-7-11-26(21(16)9-3-4-10-21)20-14-5-6-15(29-2)18(22)19(14)23-13-24-20/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,25,27)
InChIKeyYOZCZEQBWLNBKY-UHFFFAOYSA-N
XLogP2.82
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide
CID 154766792
4-[1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidin-3-yl]morpholine
CID 154763946
3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122048149
(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 124881405
N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide
CID 126838730
4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline
CID 167921529
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
CID 166527049
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]propanamide
CID 92557513
2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631704
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71200295
3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
CID 110435791

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide (CID 126838765) is N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(c2ncnc3c(F)c(OC)ccc23)C12CCCC2.
What is the InChIKey of N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide?
The InChIKey is YOZCZEQBWLNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-28-12-8-17(27)25-16-7-11-26(21(16)9-3-4-10-21)20-14-5-6-15(29-2)18(22)19(14)23-13-24-20/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide?
N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide has a molecular weight of 402.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-fluoro-7-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 126838765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).