2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one

C22H23N3O2 — CID 55674260

IUPAC2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-14(2)15-10-11-19-16(13-15)7-6-12-25(19)22(27)20-17-8-4-5-9-18(17)21(26)24(3)23-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3
InChIKeyOOQMXMQHVVONNB-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.65
Rot. Bonds2

About 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one

2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one (PubChem CID 55674260) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one
PubChem CID55674260
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-14(2)15-10-11-19-16(13-15)7-6-12-25(19)22(27)20-17-8-4-5-9-18(17)21(26)24(3)23-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3
InChIKeyOOQMXMQHVVONNB-UHFFFAOYSA-N
XLogP3.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
CID 55674060
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one
CID 17233939
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
2-methyl-4-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]phthalazin-1-one
CID 25485169
(5-cyclopropyl-1H-pyrazol-3-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60557536
1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
CID 52724176
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
(1-benzoylpyrrolidin-2-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112822377
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 87001063
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one (CID 55674260) is 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one is CC(C)c1ccc2c(c1)CCCN2C(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one?
The InChIKey is OOQMXMQHVVONNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14(2)15-10-11-19-16(13-15)7-6-12-25(19)22(27)20-17-8-4-5-9-18(17)21(26)24(3)23-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3.
What are the key properties of 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one?
2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one has a molecular weight of 361.45 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 55674260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).