5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid

C19H22N4O4 — CID 90878830

IUPAC5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCC(=O)O)c2cc1C(C)C
InChIInChI=1S/C19H22N4O4/c1-10(2)12-9-14-13(8-11(12)3)20-16-17(21-19(27)22-18(16)26)23(14)7-5-4-6-15(24)25/h8-10H,4-7H2,1-3H3,(H,24,25)(H,22,26,27)
InChIKeyALYDQZQJYMQXSO-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.27
Rot. Bonds6

About 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid

5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid (PubChem CID 90878830) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid.

Molecular Properties

Compound Name5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid
PubChem CID90878830
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCC(=O)O)c2cc1C(C)C
InChIInChI=1S/C19H22N4O4/c1-10(2)12-9-14-13(8-11(12)3)20-16-17(21-19(27)22-18(16)26)23(14)7-5-4-6-15(24)25/h8-10H,4-7H2,1-3H3,(H,24,25)(H,22,26,27)
InChIKeyALYDQZQJYMQXSO-UHFFFAOYSA-N
XLogP2.27
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-heptyl-7-methyl-8-propan-2-ylbenzo[g]pteridine-2,4-dione
CID 91207684
7-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-5-hydroxyheptanoic acid
CID 86663569
7-(7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)heptanoic acid
CID 87168225
6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-5-oxohexanoic acid
CID 90865312
6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide
CID 86663571
8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione
CID 88580571
7-[8-(9H-carbazol-4-yl)-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl]heptanoic acid
CID 172990375
4-[2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 87168704
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
7-[7-methyl-8-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-2,4-dioxobenzo[g]pteridin-10-yl]heptanoic acid
CID 87300081
7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 88580586
ethyl 7-[7-methyl-2,4-dioxo-8-(trifluoromethyl)benzo[g]pteridin-10-yl]heptanoate
CID 71538608

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid?
The IUPAC name of 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid (CID 90878830) is 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid.
What is the SMILES notation for 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid?
The canonical SMILES for 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCC(=O)O)c2cc1C(C)C.
What is the InChIKey of 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid?
The InChIKey is ALYDQZQJYMQXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-10(2)12-9-14-13(8-11(12)3)20-16-17(21-19(27)22-18(16)26)23(14)7-5-4-6-15(24)25/h8-10H,4-7H2,1-3H3,(H,24,25)(H,22,26,27).
What are the key properties of 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid?
5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-2,4-dioxo-8-propan-2-ylbenzo[g]pteridin-10-yl)pentanoic acid is sourced from PubChem (CID 90878830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).