2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H21N5O2 — CID 126939567

IUPAC2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1nncc3ccccc13)CCCC2
InChIInChI=1S/C20H21N5O2/c26-19-9-13-5-2-4-8-16(13)24-25(19)18-12-27-11-17(18)22-20-15-7-3-1-6-14(15)10-21-23-20/h1,3,6-7,9-10,17-18H,2,4-5,8,11-12H2,(H,22,23)
InChIKeyBDJDMBDXRAMPDW-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.12
Rot. Bonds3

About 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126939567) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126939567
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1nncc3ccccc13)CCCC2
InChIInChI=1S/C20H21N5O2/c26-19-9-13-5-2-4-8-16(13)24-25(19)18-12-27-11-17(18)22-20-15-7-3-1-6-14(15)10-21-23-20/h1,3,6-7,9-10,17-18H,2,4-5,8,11-12H2,(H,22,23)
InChIKeyBDJDMBDXRAMPDW-UHFFFAOYSA-N
XLogP2.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939321
2-[4-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939655
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939505
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939611
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939497
2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939386
2-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939512
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939532
3-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]pyrazine-2-carbonitrile
CID 126939236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126939567) is 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1COCC1Nc1nncc3ccccc13)CCCC2.
What is the InChIKey of 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is BDJDMBDXRAMPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19-9-13-5-2-4-8-16(13)24-25(19)18-12-27-11-17(18)22-20-15-7-3-1-6-14(15)10-21-23-20/h1,3,6-7,9-10,17-18H,2,4-5,8,11-12H2,(H,22,23).
What are the key properties of 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 363.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126939567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).