5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C30H35N7O2 — CID 162103581

IUPAC5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC3[C@@H](C2)OCCN3c2ccc3c(n2)CCNC3)O1
InChIInChI=1S/C30H35N7O2/c1-20-15-36(26-6-4-21(13-31)30-24(26)3-2-9-33-30)17-23(39-20)16-35-18-27-28(19-35)38-12-11-37(27)29-7-5-22-14-32-10-8-25(22)34-29/h2-7,9,20,23,27-28,32H,8,10-12,14-19H2,1H3/t20-,23+,27?,28-/m1/s1
InChIKeyDHIUVVHPIMIOHL-PEHJRXASSA-N
MW525.66 g/mol
LogP2.33
Rot. Bonds4

About 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 162103581) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID162103581
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Name5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC3[C@@H](C2)OCCN3c2ccc3c(n2)CCNC3)O1
InChIInChI=1S/C30H35N7O2/c1-20-15-36(26-6-4-21(13-31)30-24(26)3-2-9-33-30)17-23(39-20)16-35-18-27-28(19-35)38-12-11-37(27)29-7-5-22-14-32-10-8-25(22)34-29/h2-7,9,20,23,27-28,32H,8,10-12,14-19H2,1H3/t20-,23+,27?,28-/m1/s1
InChIKeyDHIUVVHPIMIOHL-PEHJRXASSA-N
XLogP2.33
TPSA89.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R,6S)-2-methyl-6-[[3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-3,7-diazabicyclo[4.2.0]octan-7-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 146275919
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
5-[(2R,6S)-2-methyl-6-[[4-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 146275969
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
5-[(2R,6S)-2-methyl-6-[[8-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 146275872
5-[(2S,6R)-2-[[3,3-dimethyl-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 146275710
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 146275701
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[(2R,6S)-2-methyl-6-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007022
5-[(2R,6S)-2-methyl-6-[(3-piperidin-1-ylazetidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007344

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 162103581) is 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC3[C@@H](C2)OCCN3c2ccc3c(n2)CCNC3)O1.
What is the InChIKey of 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is DHIUVVHPIMIOHL-PEHJRXASSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-20-15-36(26-6-4-21(13-31)30-24(26)3-2-9-33-30)17-23(39-20)16-35-18-27-28(19-35)38-12-11-37(27)29-7-5-22-14-32-10-8-25(22)34-29/h2-7,9,20,23,27-28,32H,8,10-12,14-19H2,1H3/t20-,23+,27?,28-/m1/s1.
What are the key properties of 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 525.66 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-[[(7aR)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 162103581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).