2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one

C27H33N5O4 — CID 177159942

IUPAC2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one
SMILESCOCC1CN(c2ccc3c(=O)n(CCn4nc5c(cc4=O)CCC5)c(C4CCC4)nc3c2)CCO1
InChIInChI=1S/C27H33N5O4/c1-35-17-21-16-30(12-13-36-21)20-8-9-22-24(15-20)28-26(18-4-2-5-18)31(27(22)34)10-11-32-25(33)14-19-6-3-7-23(19)29-32/h8-9,14-15,18,21H,2-7,10-13,16-17H2,1H3
InChIKeyREHXEPVGLKIAKI-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.26
Rot. Bonds7

About 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one

2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one (PubChem CID 177159942) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one
PubChem CID177159942
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one
SMILESCOCC1CN(c2ccc3c(=O)n(CCn4nc5c(cc4=O)CCC5)c(C4CCC4)nc3c2)CCO1
InChIInChI=1S/C27H33N5O4/c1-35-17-21-16-30(12-13-36-21)20-8-9-22-24(15-20)28-26(18-4-2-5-18)31(27(22)34)10-11-32-25(33)14-19-6-3-7-23(19)29-32/h8-9,14-15,18,21H,2-7,10-13,16-17H2,1H3
InChIKeyREHXEPVGLKIAKI-UHFFFAOYSA-N
XLogP2.26
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one
CID 177159927
7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-[(2R)-oxetan-2-yl]quinazolin-4-one
CID 177159880
4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 177159845
3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one
CID 177159681
3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one
CID 177159699
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-3-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]quinazolin-4-one
CID 177158771
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203
4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine
CID 133349338
3-methyl-2-[3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidin-1-yl]quinazolin-4-one
CID 126928906
2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915091
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one?
The IUPAC name of 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one (CID 177159942) is 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one is COCC1CN(c2ccc3c(=O)n(CCn4nc5c(cc4=O)CCC5)c(C4CCC4)nc3c2)CCO1.
What is the InChIKey of 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one?
The InChIKey is REHXEPVGLKIAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-35-17-21-16-30(12-13-36-21)20-8-9-22-24(15-20)28-26(18-4-2-5-18)31(27(22)34)10-11-32-25(33)14-19-6-3-7-23(19)29-32/h8-9,14-15,18,21H,2-7,10-13,16-17H2,1H3.
What are the key properties of 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one?
2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one has a molecular weight of 491.59 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 177159942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).