5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide

C21H17ClN4O2 — CID 156621381

IUPAC5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C21H17ClN4O2/c22-14-2-1-3-15(11-14)25-20-17-6-7-23-12-18(17)16-5-4-13(10-19(16)26-20)21(28)24-8-9-27/h1-7,10-12,27H,8-9H2,(H,24,28)(H,25,26)
InChIKeyFPWXVWZFQXQWTH-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.90
Rot. Bonds5

About 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide

5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 156621381) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID156621381
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C21H17ClN4O2/c22-14-2-1-3-15(11-14)25-20-17-6-7-23-12-18(17)16-5-4-13(10-19(16)26-20)21(28)24-8-9-27/h1-7,10-12,27H,8-9H2,(H,24,28)(H,25,26)
InChIKeyFPWXVWZFQXQWTH-UHFFFAOYSA-N
XLogP3.90
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Silmitasertib
CID 24748573
5-(3-chloroanilino)-N-(2-morpholin-4-ylethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57876932
N-(2-aminoethyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57877024
2-Hydroxyethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861586
Methyl 3-[[5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carbonyl]amino]propanoate
CID 156861592
US11866436, Example 9
CID 164915010
US11866436, Example 2
CID 164915120
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
4-chloro-N-(1,10-phenanthrolin-2-yl)benzamide
CID 14896601
2-Chloro-N-[4-({[2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]isonicotinamide
CID 25025510
6-chloro-N-[4-[[[7-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818493
5-(3-Chloro-4-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942441

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide (CID 156621381) is 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide is O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is FPWXVWZFQXQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-14-2-1-3-15(11-14)25-20-17-6-7-23-12-18(17)16-5-4-13(10-19(16)26-20)21(28)24-8-9-27/h1-7,10-12,27H,8-9H2,(H,24,28)(H,25,26).
What are the key properties of 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide?
5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(2-hydroxyethyl)benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 156621381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).