4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine

C28H30N6O — CID 25142131

IUPAC4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine
SMILESC1=CN2CCN(Cc3ccc4nc(-c5cccc6[nH]ccc56)nc(N5CCOCC5)c4c3)C[C@@H]2C1
InChIInChI=1S/C28H30N6O/c1-4-23(22-8-9-29-25(22)5-1)27-30-26-7-6-20(18-32-11-12-33-10-2-3-21(33)19-32)17-24(26)28(31-27)34-13-15-35-16-14-34/h1-2,4-10,17,21,29H,3,11-16,18-19H2/t21-/m0/s1
InChIKeyGXNKRBYDDYUJKZ-NRFANRHFSA-N
MW466.59 g/mol
LogP4.02
Rot. Bonds4

About 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine

4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine (PubChem CID 25142131) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine
PubChem CID25142131
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine
SMILESC1=CN2CCN(Cc3ccc4nc(-c5cccc6[nH]ccc56)nc(N5CCOCC5)c4c3)C[C@@H]2C1
InChIInChI=1S/C28H30N6O/c1-4-23(22-8-9-29-25(22)5-1)27-30-26-7-6-20(18-32-11-12-33-10-2-3-21(33)19-32)17-24(26)28(31-27)34-13-15-35-16-14-34/h1-2,4-10,17,21,29H,3,11-16,18-19H2/t21-/m0/s1
InChIKeyGXNKRBYDDYUJKZ-NRFANRHFSA-N
XLogP4.02
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine with MolForge

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Related Compounds

2-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylquinazolin-6-yl]methyl]piperazin-1-yl]ethanol
CID 25141999
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124048
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24938019
4-[4-(1H-indol-4-yl)-12-(morpholin-4-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
CID 66927629
4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(piperidin-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 50992383
3-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-ol
CID 59151270
4-(1H-indol-4-yl)-12-[(3-methoxypiperidin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123447331
4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide
CID 126621071
4-[2-(1H-indol-4-yl)-6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59151321
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155568452
4-[2-(1H-indol-4-yl)-6-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936351

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine (CID 25142131) is 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine is C1=CN2CCN(Cc3ccc4nc(-c5cccc6[nH]ccc56)nc(N5CCOCC5)c4c3)C[C@@H]2C1.
What is the InChIKey of 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine?
The InChIKey is GXNKRBYDDYUJKZ-NRFANRHFSA-N. The full InChI is InChI=1S/C28H30N6O/c1-4-23(22-8-9-29-25(22)5-1)27-30-26-7-6-20(18-32-11-12-33-10-2-3-21(33)19-32)17-24(26)28(31-27)34-13-15-35-16-14-34/h1-2,4-10,17,21,29H,3,11-16,18-19H2/t21-/m0/s1.
What are the key properties of 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine?
4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine has a molecular weight of 466.59 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(8aS)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 25142131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).