2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde

C22H18N2O2 — CID 174544852

IUPAC2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde
SMILESO=CC1NC=Cc2cc(-c3ccccc3)c(-c3ccc(CO)cc3)nc21
InChIInChI=1S/C22H18N2O2/c25-13-15-6-8-17(9-7-15)21-19(16-4-2-1-3-5-16)12-18-10-11-23-20(14-26)22(18)24-21/h1-12,14,20,23,25H,13H2
InChIKeyZXLHKBVFKUCYKW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.72
Rot. Bonds4

About 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde

2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde (PubChem CID 174544852) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde
PubChem CID174544852
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde
SMILESO=CC1NC=Cc2cc(-c3ccccc3)c(-c3ccc(CO)cc3)nc21
InChIInChI=1S/C22H18N2O2/c25-13-15-6-8-17(9-7-15)21-19(16-4-2-1-3-5-16)12-18-10-11-23-20(14-26)22(18)24-21/h1-12,14,20,23,25H,13H2
InChIKeyZXLHKBVFKUCYKW-UHFFFAOYSA-N
XLogP3.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(Difluoromethyl)-3-[4-(2-hydroxypropan-2-yl)phenyl]-1,2-dihydropyrrolo[1,2-a]pyrazine-1-carbaldehyde
CID 174734730
3-[4-(2-Hydroxypropan-2-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyrrolo[1,2-a]pyrazine-1-carbaldehyde
CID 175286686
N-[(1R)-1-[5-(hydroxymethyl)-2-pyridinyl]ethyl]-2-(4-phenylphenyl)acetamide
CID 24765103
2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-5(6H)-one
CID 59846141
2-[4-(Hydroxymethyl)phenyl]-3-phenyl-1,7-naphthyridin-8(7H)-one
CID 59846149
[4-(7-hydroxy-3-phenyl-8H-1,7-naphthyridin-2-yl)phenyl]methanol
CID 67055572
[6-(Aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone
CID 155386938
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
CID 161122597
4-Hydroxy-3-[[(6-methyl-3-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]-2-oxo-4-(4-propan-2-ylphenyl)but-3-enal
CID 173476101
2-[4-[(4-Hydroxyanilino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
CID 174504552
2-[4-[[(4-Hydroxyphenyl)methylamino]methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
CID 174504563
2-[4-[[2-(4-Hydroxyphenyl)ethylamino]methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
CID 174518662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde (CID 174544852) is 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde is O=CC1NC=Cc2cc(-c3ccccc3)c(-c3ccc(CO)cc3)nc21.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde?
The InChIKey is ZXLHKBVFKUCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-13-15-6-8-17(9-7-15)21-19(16-4-2-1-3-5-16)12-18-10-11-23-20(14-26)22(18)24-21/h1-12,14,20,23,25H,13H2.
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde?
2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde has a molecular weight of 342.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde is sourced from PubChem (CID 174544852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).