2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde

C22H19NO4 — CID 59599773

IUPAC2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12
InChIInChI=1S/C22H19NO4/c24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23/h1-8,13-14,25H,9-12H2
InChIKeyNBHZRTPTDVODBZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.50
Rot. Bonds3

About 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde

2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde (PubChem CID 59599773) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
PubChem CID59599773
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12
InChIInChI=1S/C22H19NO4/c24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23/h1-8,13-14,25H,9-12H2
InChIKeyNBHZRTPTDVODBZ-UHFFFAOYSA-N
XLogP3.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;N-benzyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide;3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide;2-hydroxy-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[6-(morpholine-4-carbonyl)-2-pyridinyl]naphthalene-1-carbaldehyde;2-hydroxy-6-[3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carbaldehyde
CID 158908508
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
5-hydroxy-2-(1,4-oxazepane-4-carbonyl)-1-benzofuran-4-carbaldehyde
CID 155441694
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
9-[4-(morpholine-4-carbonyl)phenyl]-3-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid
CID 87766066
[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 22274541
[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone
CID 67203926
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10201388
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde (CID 59599773) is 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12.
What is the InChIKey of 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde?
The InChIKey is NBHZRTPTDVODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23/h1-8,13-14,25H,9-12H2.
What are the key properties of 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde has a molecular weight of 361.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 59599773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).