5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide

C22H17ClN4O — CID 57393819

IUPAC5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESO=C(NC1CC1)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C22H17ClN4O/c23-13-3-1-4-15(11-13)25-21-17-9-10-24-12-19(17)16-5-2-6-18(20(16)27-21)22(28)26-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,25,27)(H,26,28)
InChIKeyAKTIZWAVQKASGW-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.07
Rot. Bonds4

About 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide

5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57393819) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57393819
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESO=C(NC1CC1)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C22H17ClN4O/c23-13-3-1-4-15(11-13)25-21-17-9-10-24-12-19(17)16-5-2-6-18(20(16)27-21)22(28)26-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,25,27)(H,26,28)
InChIKeyAKTIZWAVQKASGW-UHFFFAOYSA-N
XLogP5.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide (CID 57393819) is 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide is O=C(NC1CC1)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is AKTIZWAVQKASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-13-3-1-4-15(11-13)25-21-17-9-10-24-12-19(17)16-5-2-6-18(20(16)27-21)22(28)26-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,25,27)(H,26,28).
What are the key properties of 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide?
5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide is sourced from PubChem (CID 57393819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).