6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C30H29N5O3 — CID 146737518

IUPAC6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Cc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C2CC2)nc1
InChIInChI=1S/C30H29N5O3/c1-36-28-15-20(3-9-27(28)38-19-21-2-7-25(32-17-21)22-4-5-22)14-23-6-8-26-30(24(23)16-31)34-29(18-33-26)35-10-12-37-13-11-35/h2-3,6-9,15,17-18,22H,4-5,10-14,19H2,1H3
InChIKeyRJSHHTWVKVDSAL-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.79
Rot. Bonds8

About 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 146737518) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID146737518
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Cc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C2CC2)nc1
InChIInChI=1S/C30H29N5O3/c1-36-28-15-20(3-9-27(28)38-19-21-2-7-25(32-17-21)22-4-5-22)14-23-6-8-26-30(24(23)16-31)34-29(18-33-26)35-10-12-37-13-11-35/h2-3,6-9,15,17-18,22H,4-5,10-14,19H2,1H3
InChIKeyRJSHHTWVKVDSAL-UHFFFAOYSA-N
XLogP4.79
TPSA93.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile with MolForge

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Related Compounds

6-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-3-(4-propan-2-ylpiperazin-1-yl)quinoxaline-5-carbonitrile
CID 147873383
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442347
6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 163767095
6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
CID 139557076
6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442339
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
CID 53369726
3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 134441984
6-amino-4-[3-chloro-4-[[6-(oxan-4-yl)-3-pyridinyl]methoxy]anilino]-7-ethoxy-2-methylquinoline-3-carbonitrile;ethane
CID 177179136
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile
CID 134442092
6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 166795668
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 146737518) is 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1cc(Cc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C2CC2)nc1.
What is the InChIKey of 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is RJSHHTWVKVDSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-36-28-15-20(3-9-27(28)38-19-21-2-7-25(32-17-21)22-4-5-22)14-23-6-8-26-30(24(23)16-31)34-29(18-33-26)35-10-12-37-13-11-35/h2-3,6-9,15,17-18,22H,4-5,10-14,19H2,1H3.
What are the key properties of 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 507.59 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-cyclopropyl-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 146737518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).