4-dodecylbenzo[f]quinazoline-1,3-dione

C24H32N2O2 — CID 59194270

IUPAC4-dodecylbenzo[f]quinazoline-1,3-dione
SMILESCCCCCCCCCCCCn1c(=O)[nH]c(=O)c2c3ccccc3ccc21
InChIInChI=1S/C24H32N2O2/c1-2-3-4-5-6-7-8-9-10-13-18-26-21-17-16-19-14-11-12-15-20(19)22(21)23(27)25-24(26)28/h11-12,14-17H,2-10,13,18H2,1H3,(H,25,27,28)
InChIKeyQZLLBCUFCPUSFY-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.76
Rot. Bonds11

About 4-dodecylbenzo[f]quinazoline-1,3-dione

4-dodecylbenzo[f]quinazoline-1,3-dione (PubChem CID 59194270) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-dodecylbenzo[f]quinazoline-1,3-dione.

Molecular Properties

Compound Name4-dodecylbenzo[f]quinazoline-1,3-dione
PubChem CID59194270
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-dodecylbenzo[f]quinazoline-1,3-dione
SMILESCCCCCCCCCCCCn1c(=O)[nH]c(=O)c2c3ccccc3ccc21
InChIInChI=1S/C24H32N2O2/c1-2-3-4-5-6-7-8-9-10-13-18-26-21-17-16-19-14-11-12-15-20(19)22(21)23(27)25-24(26)28/h11-12,14-17H,2-10,13,18H2,1H3,(H,25,27,28)
InChIKeyQZLLBCUFCPUSFY-UHFFFAOYSA-N
XLogP5.76
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

13-octyl-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-one;13-propan-2-yl-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-one
CID 159920797
1-(5-chloropentyl)quinazoline-2,4-dione
CID 22449700
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501
22-hexyl-22-azahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene
CID 135031023
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656474
5-butylbenzo[k]phenanthridin-6-one
CID 46885584
2,4-bis[(1-tridecylbenzo[cd]indol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 91120047
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
heptane;phenanthrene
CID 157482146

Frequently Asked Questions

What is the IUPAC name of 4-dodecylbenzo[f]quinazoline-1,3-dione?
The IUPAC name of 4-dodecylbenzo[f]quinazoline-1,3-dione (CID 59194270) is 4-dodecylbenzo[f]quinazoline-1,3-dione.
What is the SMILES notation for 4-dodecylbenzo[f]quinazoline-1,3-dione?
The canonical SMILES for 4-dodecylbenzo[f]quinazoline-1,3-dione is CCCCCCCCCCCCn1c(=O)[nH]c(=O)c2c3ccccc3ccc21.
What is the InChIKey of 4-dodecylbenzo[f]quinazoline-1,3-dione?
The InChIKey is QZLLBCUFCPUSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-3-4-5-6-7-8-9-10-13-18-26-21-17-16-19-14-11-12-15-20(19)22(21)23(27)25-24(26)28/h11-12,14-17H,2-10,13,18H2,1H3,(H,25,27,28).
What are the key properties of 4-dodecylbenzo[f]quinazoline-1,3-dione?
4-dodecylbenzo[f]quinazoline-1,3-dione has a molecular weight of 380.53 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecylbenzo[f]quinazoline-1,3-dione is sourced from PubChem (CID 59194270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).