N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide

C23H24N4O2 — CID 117090375

IUPACN-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2ccc(N3CCOCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H24N4O2/c28-23(25-17-5-6-17)20-15-22(26-21-4-2-1-3-19(20)21)24-16-7-9-18(10-8-16)27-11-13-29-14-12-27/h1-4,7-10,15,17H,5-6,11-14H2,(H,24,26)(H,25,28)
InChIKeyHBZZXTOOFLZVNO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.71
Rot. Bonds5

About N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide

N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide (PubChem CID 117090375) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
PubChem CID117090375
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2ccc(N3CCOCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H24N4O2/c28-23(25-17-5-6-17)20-15-22(26-21-4-2-1-3-19(20)21)24-16-7-9-18(10-8-16)27-11-13-29-14-12-27/h1-4,7-10,15,17H,5-6,11-14H2,(H,24,26)(H,25,28)
InChIKeyHBZZXTOOFLZVNO-UHFFFAOYSA-N
XLogP3.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide (CID 117090375) is N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide is O=C(NC1CC1)c1cc(Nc2ccc(N3CCOCC3)cc2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide?
The InChIKey is HBZZXTOOFLZVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(25-17-5-6-17)20-15-22(26-21-4-2-1-3-19(20)21)24-16-7-9-18(10-8-16)27-11-13-29-14-12-27/h1-4,7-10,15,17H,5-6,11-14H2,(H,24,26)(H,25,28).
What are the key properties of N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide?
N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 117090375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).