10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione

C24H25ClN4O2 — CID 53491758

IUPAC10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione
SMILESCCC(CCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C(C)C)ccc21)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2/c1-4-15(16-5-8-18(25)9-6-16)11-12-29-20-10-7-17(14(2)3)13-19(20)26-21-22(29)27-24(31)28-23(21)30/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,30,31)
InChIKeyYQDYDFCBYCVAGH-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.95
Rot. Bonds6

About 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione

10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione (PubChem CID 53491758) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione
PubChem CID53491758
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione
SMILESCCC(CCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C(C)C)ccc21)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2/c1-4-15(16-5-8-18(25)9-6-16)11-12-29-20-10-7-17(14(2)3)13-19(20)26-21-22(29)27-24(31)28-23(21)30/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,30,31)
InChIKeyYQDYDFCBYCVAGH-UHFFFAOYSA-N
XLogP4.95
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-butan-2-yl-10-[3-(4-chlorophenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492031
7,8-dimethyl-10-(3-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 87408696
8-chloro-10-[(3S)-3,5-dihydroxypentyl]benzo[g]pteridine-2,4-dione;ethane
CID 144555654
10-heptyl-7-methyl-8-propan-2-ylbenzo[g]pteridine-2,4-dione
CID 91207684
5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid
CID 90878830
7-(7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)heptanoic acid
CID 87168225
7-(1-chloropentan-3-yl)-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 23529088
10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
CID 53492166
10-[2-[1-(4-tert-butylphenyl)ethylamino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 50906386
7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione
CID 166558328
7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 176777977
7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 89398754

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione (CID 53491758) is 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione is CCC(CCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C(C)C)ccc21)c1ccc(Cl)cc1.
What is the InChIKey of 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione?
The InChIKey is YQDYDFCBYCVAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-4-15(16-5-8-18(25)9-6-16)11-12-29-20-10-7-17(14(2)3)13-19(20)26-21-22(29)27-24(31)28-23(21)30/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,30,31).
What are the key properties of 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione?
10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione has a molecular weight of 436.94 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-chlorophenyl)pentyl]-7-propan-2-ylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 53491758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).