N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde

C27H23N3O4 — CID 143521321

IUPACN-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde
SMILESC=O.Cc1ccccc1C(=O)N(C)Cc1ccc2[nH]c3c(=O)c4ccccc4[nH]c3c(=O)c2c1
InChIInChI=1S/C26H21N3O3.CH2O/c1-15-7-3-4-8-17(15)26(32)29(2)14-16-11-12-21-19(13-16)25(31)23-22(28-21)24(30)18-9-5-6-10-20(18)27-23;1-2/h3-13H,14H2,1-2H3,(H,27,30)(H,28,31);1H2
InChIKeyHKOMLTPFGGRYSI-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.92
Rot. Bonds3

About N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde

N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde (PubChem CID 143521321) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde.

Molecular Properties

Compound NameN-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde
PubChem CID143521321
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde
SMILESC=O.Cc1ccccc1C(=O)N(C)Cc1ccc2[nH]c3c(=O)c4ccccc4[nH]c3c(=O)c2c1
InChIInChI=1S/C26H21N3O3.CH2O/c1-15-7-3-4-8-17(15)26(32)29(2)14-16-11-12-21-19(13-16)25(31)23-22(28-21)24(30)18-9-5-6-10-20(18)27-23;1-2/h3-13H,14H2,1-2H3,(H,27,30)(H,28,31);1H2
InChIKeyHKOMLTPFGGRYSI-UHFFFAOYSA-N
XLogP3.92
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde?
The IUPAC name of N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde (CID 143521321) is N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde.
What is the SMILES notation for N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde?
The canonical SMILES for N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde is C=O.Cc1ccccc1C(=O)N(C)Cc1ccc2[nH]c3c(=O)c4ccccc4[nH]c3c(=O)c2c1.
What is the InChIKey of N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde?
The InChIKey is HKOMLTPFGGRYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3.CH2O/c1-15-7-3-4-8-17(15)26(32)29(2)14-16-11-12-21-19(13-16)25(31)23-22(28-21)24(30)18-9-5-6-10-20(18)27-23;1-2/h3-13H,14H2,1-2H3,(H,27,30)(H,28,31);1H2.
What are the key properties of N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde?
N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde has a molecular weight of 453.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,12-dioxo-5,11-dihydroquinolino[3,2-b]quinolin-2-yl)methyl]-N,2-dimethylbenzamide;formaldehyde is sourced from PubChem (CID 143521321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).