8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H24N4O2 — CID 174626645

IUPAC8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2cc(-c3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c21
InChIInChI=1S/C25H24N4O2/c30-17-23-24-19(10-11-26-23)16-22(18-4-2-1-3-5-18)28-25(24)27-20-6-8-21(9-7-20)29-12-14-31-15-13-29/h1-11,16-17,23,26H,12-15H2,(H,27,28)
InChIKeyCZVNBJINMHZBHO-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.14
Rot. Bonds5

About 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626645) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626645
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2cc(-c3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c21
InChIInChI=1S/C25H24N4O2/c30-17-23-24-19(10-11-26-23)16-22(18-4-2-1-3-5-18)28-25(24)27-20-6-8-21(9-7-20)29-12-14-31-15-13-29/h1-11,16-17,23,26H,12-15H2,(H,27,28)
InChIKeyCZVNBJINMHZBHO-UHFFFAOYSA-N
XLogP4.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
5-[(4-Aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959850
6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134808957
3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(1S)-1-phenylethyl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 68108779
2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134806226
6-benzyl-8-methyl-2-morpholin-4-yl-N-phenyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134805206
2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134805958
N,6-dibenzyl-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134806528
2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134807195

Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626645) is 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is O=CC1NC=Cc2cc(-c3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c21.
What is the InChIKey of 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is CZVNBJINMHZBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-17-23-24-19(10-11-26-23)16-22(18-4-2-1-3-5-18)28-25(24)27-20-6-8-21(9-7-20)29-12-14-31-15-13-29/h1-11,16-17,23,26H,12-15H2,(H,27,28).
What are the key properties of 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 412.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).