2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde

C18H19N3O3 — CID 155723907

IUPAC2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde
SMILESCc1ccc2c(=O)c3c(O)cc(C)c(N(C)C)c3n(CC=O)c2n1
InChIInChI=1S/C18H19N3O3/c1-10-9-13(23)14-16(15(10)20(3)4)21(7-8-22)18-12(17(14)24)6-5-11(2)19-18/h5-6,8-9,23H,7H2,1-4H3
InChIKeyIQSQHKDERGOAGO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.14
Rot. Bonds3

About 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde

2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde (PubChem CID 155723907) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde.

Molecular Properties

Compound Name2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde
PubChem CID155723907
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde
SMILESCc1ccc2c(=O)c3c(O)cc(C)c(N(C)C)c3n(CC=O)c2n1
InChIInChI=1S/C18H19N3O3/c1-10-9-13(23)14-16(15(10)20(3)4)21(7-8-22)18-12(17(14)24)6-5-11(2)19-18/h5-6,8-9,23H,7H2,1-4H3
InChIKeyIQSQHKDERGOAGO-UHFFFAOYSA-N
XLogP2.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(dimethylamino)-4-methyl-2-oxoquinolin-1-yl]acetaldehyde
CID 59398176
2-[2-[ethyl(oxetan-3-yl)amino]-8-methyl-9-methylsulfanyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde;methanol
CID 155723828
2-(2-acetyl-8-chloro-9-methylsulfanyl-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetaldehyde
CID 164840495
2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
CID 117264206
2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde
CID 87246653
10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
CID 135412907
1-ethyl-7-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
CID 23349956
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
CID 10470853
ethyl 2-[8-chloro-9-(dimethylamino)-2-ethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetate
CID 155300910
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
cesium;carbanide;2-[9-(dimethylamino)-2-[(3-methoxycyclobutyl)-methylamino]-8-methyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetic acid;methylsulfanylmethane
CID 155723921
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742

Frequently Asked Questions

What is the IUPAC name of 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde?
The IUPAC name of 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde (CID 155723907) is 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde.
What is the SMILES notation for 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde?
The canonical SMILES for 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde is Cc1ccc2c(=O)c3c(O)cc(C)c(N(C)C)c3n(CC=O)c2n1.
What is the InChIKey of 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde?
The InChIKey is IQSQHKDERGOAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10-9-13(23)14-16(15(10)20(3)4)21(7-8-22)18-12(17(14)24)6-5-11(2)19-18/h5-6,8-9,23H,7H2,1-4H3.
What are the key properties of 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde?
2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde has a molecular weight of 325.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(dimethylamino)-6-hydroxy-2,8-dimethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetaldehyde is sourced from PubChem (CID 155723907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).