4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine

C29H31N3O4 — CID 58336495

IUPAC4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
SMILESCOc1ccc2cc(-c3ccnc(CCc4ccc(OC)c(OC)c4)n3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C29H31N3O4/c1-33-23-7-6-21-17-22(18-26(24(21)19-23)32-12-14-36-15-13-32)25-10-11-30-29(31-25)9-5-20-4-8-27(34-2)28(16-20)35-3/h4,6-8,10-11,16-19H,5,9,12-15H2,1-3H3
InChIKeyOACBKGSNFZHBRW-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.94
Rot. Bonds8

About 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine

4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine (PubChem CID 58336495) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
PubChem CID58336495
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
SMILESCOc1ccc2cc(-c3ccnc(CCc4ccc(OC)c(OC)c4)n3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C29H31N3O4/c1-33-23-7-6-21-17-22(18-26(24(21)19-23)32-12-14-36-15-13-32)25-10-11-30-29(31-25)9-5-20-4-8-27(34-2)28(16-20)35-3/h4,6-8,10-11,16-19H,5,9,12-15H2,1-3H3
InChIKeyOACBKGSNFZHBRW-UHFFFAOYSA-N
XLogP4.94
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine with MolForge

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Related Compounds

6,7-dimethoxy-4-[(3R)-3-[(6-methoxynaphthalen-2-yl)oxy]pyrrolidin-1-yl]quinazoline
CID 16102628
4-(3,4-Dimethoxyphenyl)-6-quinolin-3-ylquinazoline
CID 25057242
1-(6,7-Dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol
CID 57330959
P-gp inhibitor 1
CID 132822387
4-[6-(3-Methoxyphenyl)quinazolin-4-yl]morpholine
CID 3235058
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 44142046
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 44142054
4-[7-(3,4-Dimethoxyphenyl)quinazolin-4-yl]morpholine
CID 168299758
N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 9196028
6,7-Dimethoxy-4-(2-(4-methylphenyl)-morpholin-4-yl)-quinazoline
CID 24855181
4-(6,7-Dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 24855236
4-[6-(1,3-Benzodioxol-5-yl)quinazolin-4-yl]morpholine
CID 46916175

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine?
The IUPAC name of 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine (CID 58336495) is 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine.
What is the SMILES notation for 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine?
The canonical SMILES for 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine is COc1ccc2cc(-c3ccnc(CCc4ccc(OC)c(OC)c4)n3)cc(N3CCOCC3)c2c1.
What is the InChIKey of 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine?
The InChIKey is OACBKGSNFZHBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-33-23-7-6-21-17-22(18-26(24(21)19-23)32-12-14-36-15-13-32)25-10-11-30-29(31-25)9-5-20-4-8-27(34-2)28(16-20)35-3/h4,6-8,10-11,16-19H,5,9,12-15H2,1-3H3.
What are the key properties of 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine?
4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine has a molecular weight of 485.58 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine is sourced from PubChem (CID 58336495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).