(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine

C21H21N5 — CID 121298996

IUPAC(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
SMILESCC[C@@H]1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C21H21N5/c1-2-13-7-8-17-18(15-9-14-5-3-4-6-16(14)23-10-15)19-20(22)24-12-25-21(19)26(17)11-13/h3-6,9-10,12-13H,2,7-8,11H2,1H3,(H2,22,24,25)/t13-/m1/s1
InChIKeyMRIVEOVLWVRNJR-CYBMUJFWSA-N
MW343.43 g/mol
LogP4.20
Rot. Bonds2

About (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine

(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine (PubChem CID 121298996) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine.

Molecular Properties

Compound Name(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
PubChem CID121298996
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
SMILESCC[C@@H]1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C21H21N5/c1-2-13-7-8-17-18(15-9-14-5-3-4-6-16(14)23-10-15)19-20(22)24-12-25-21(19)26(17)11-13/h3-6,9-10,12-13H,2,7-8,11H2,1H3,(H2,22,24,25)/t13-/m1/s1
InChIKeyMRIVEOVLWVRNJR-CYBMUJFWSA-N
XLogP4.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine?
The IUPAC name of (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine (CID 121298996) is (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine.
What is the SMILES notation for (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine?
The canonical SMILES for (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine is CC[C@@H]1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1.
What is the InChIKey of (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine?
The InChIKey is MRIVEOVLWVRNJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N5/c1-2-13-7-8-17-18(15-9-14-5-3-4-6-16(14)23-10-15)19-20(22)24-12-25-21(19)26(17)11-13/h3-6,9-10,12-13H,2,7-8,11H2,1H3,(H2,22,24,25)/t13-/m1/s1.
What are the key properties of (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine?
(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine is sourced from PubChem (CID 121298996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).