CID 101350938

C22H24N3O2 — CID 101350938

IUPAC—
SMILESCC1(C)CCC(C)(c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)N1[O]
InChIInChI=1S/C22H24N3O2/c1-21(2)12-13-22(3,25(21)27)16-10-8-15(9-11-16)14-19-17-6-4-5-7-18(17)20(26)24-23-19/h4-11H,12-14H2,1-3H3,(H,24,26)
InChIKeyUMQNDVILFSTPCG-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.95
Rot. Bonds3

About CID 101350938

CID 101350938 (PubChem CID 101350938) has the molecular formula C22H24N3O2 and a molecular weight of 362.45 g/mol.

Molecular Properties

Compound NameCID 101350938
PubChem CID101350938
Molecular FormulaC22H24N3O2
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name—
SMILESCC1(C)CCC(C)(c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)N1[O]
InChIInChI=1S/C22H24N3O2/c1-21(2)12-13-22(3,25(21)27)16-10-8-15(9-11-16)14-19-17-6-4-5-7-18(17)20(26)24-23-19/h4-11H,12-14H2,1-3H3,(H,24,26)
InChIKeyUMQNDVILFSTPCG-UHFFFAOYSA-N
XLogP3.95
TPSA68.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 157040103
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
2-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18444348
4-[[4-fluoro-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
CID 161356670
CID 101224748
CID 101224748
4-[[4-fluoro-3-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 118944553
4-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methyl]-2H-phthalazin-1-one
CID 56833203
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
tert-butyl N-methyl-N-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamate
CID 157040156
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
4-[[3-(2,5-dihydroxypyrrol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 91219912

Frequently Asked Questions

What is the IUPAC name of CID 101350938?
The IUPAC name of CID 101350938 (CID 101350938) is not available.
What is the SMILES notation for CID 101350938?
The canonical SMILES for CID 101350938 is CC1(C)CCC(C)(c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2)N1[O].
What is the InChIKey of CID 101350938?
The InChIKey is UMQNDVILFSTPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N3O2/c1-21(2)12-13-22(3,25(21)27)16-10-8-15(9-11-16)14-19-17-6-4-5-7-18(17)20(26)24-23-19/h4-11H,12-14H2,1-3H3,(H,24,26).
What are the key properties of CID 101350938?
CID 101350938 has a molecular weight of 362.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101350938 is sourced from PubChem (CID 101350938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).